Antineoplastic compounds [selection]

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, mammalian (rat/mouse) oral LD50,
Daphnia magna 48-hr LC50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), skin irritation potential,
use TerraQSAR-RMIV, TerraQSAR-OMAR, TerraQSAR-Daphnia, TerraQSAR-FHM, TerraQSAR-E2-RBA, or TerraQSAR-SKIN programs,
or consult TerraBase Inc.


NAME CAS FORMULA MWTerraQSAR - LOGP
nedaplatin 95734-82-0 C2H6N2O3Pt 301.17
-1.04
L-alanosine 5854-93-3 C3H7N3O4 149.11
-2.16
pamidronic acid 40391-99-9 C3H11NO7P2 235.07
-3.48
oteracil 937-13-3 C4H3N3O4 157.08
-0.46
imexon 59643-91-3 C4H5N3O 111.10
0.03
timonacic 444-27-9 C4H7NO2S 133.17
-1.83
palifosfamide 31645-39-3 C4H11Cl2N2O2P 221.02
gimeracil 103766-25-2 C5H4ClNO2 145.54
0.96
nitrogen mustard oxide 302-70-5 C5H12Cl3NO 208.52
-1.66
bisazir 13687-09-7 C5H12N3PS 177.21
0.53
mitoguazone 459-86-9 C5H12N8 184.21
-0.83
oxophenarsine 306-12-7 C6H6AsNO2 199.04
1.08
dezaguanine 41729-52-6 C6H6N4O 150.14
-0.44
temozolomide 85622-93-1 C6H6N6O2 194.15
-0.24
picoplatin 181630-15-9 C6H10Cl2N2Pt 376.16
1.29
sparfosic acid 51321-79-0 C6H10NO8P 255.12
-2.55
dacarbazine 4342-03-4 C6H10N6O 182.18
-0.24
caracemide 81424-67-1 C6H11N3O4 189.17
-0.67
eflornithine 70052-12-9 C6H12F2N2O2 182.17
0.56
dexormaplatin 96392-96-0 C6H14Cl4N2Pt 451.09
-3.33
tirapazamine 27314-97-2 C7H6N4O2 178.15
2.04
mitozolomide 85622-95-3 C7H7ClN6O2 242.63
-0.24
etanidazole 22668-01-5 C7H10N4O4 214.18
-0.31
misonidazole 13551-87-6 C7H11N3O4 201.18
-0.01
neptamustine 73105-03-0 C7H14ClN3O2 207.66
2.01
novembichin 1936-40-9 C7H14Cl3N 218.55
0.94
uredepa 302-49-8 C7H14N3O3P 219.18
-0.33
tauromustine 85977-49-7 C7H15ClN4O4S 286.74
0.71
perfosfamide 62435-42-1 C7H16ClN2O5P 274.64
0.62
norcantharidine 5442-12-6 C8H8O4 168.15
0.86
tegafur; ftorafur 17902-23-7 C8H9FN2O3 200.17
-0.75
oxisuran 27302-90-5 C8H9NO2S 183.23
0.32
iobenguane [131-I] 77679-27-7 C8H10IN3 275.09
3.31
L-mimosine 500-44-7 C8H10N2O4 198.18
-0.11
duazomycin 1403-47-0 C8H11N3O4 213.19
1.98
ambazone 539-21-9 C8H11N7S 237.29
-0.56
fazarabine 65886-71-7 C8H12N4O5 244.21
-0.31
oxaliplatin 61825-94-3 C8H14N2O4Pt 397.30
-1.20
azatepa 125-45-1 C8H14N5OPS 259.27
1.53
swainsonine; tridolgosir 72741-87-8 C8H15NO3 173.21
-1.00
spiroplatin 74790-08-2 C8H16N2O4PtS 431.38
1.27
gloxazone 2507-91-7 C8H16N6OS2 276.38
-0.19
sufosfamide 37753-10-9 C8H18ClN2O5PS 320.73
-0.52
improsulfan 13425-98-4 C8H19NO6S2 289.37
-0.52
argimesna 106854-46-0 C8H20N4O5S2 316.40
-4.20
irsogladine 57381-26-7 C9H7Cl2N5 256.10
1.36
thiamiprine; tiamiprine 5581-52-2 C9H8N8O2S 292.28
0.10
flurocitabine 37717-21-8 C9H10FN3O4 243.19
0.60
fiacitabine 69123-90-6 C9H11FIN3O4 371.11
0.33
doxifluridine 3094-09-5 C9H11FN2O5 246.19
-1.16
ropidoxuridine 93265-81-7 C9H11IN2O4 338.10
-1.16
ancitabine 31698-14-3 C9H11N3O4 225.20
0.75
nimustine 42471-28-3 C9H13ClN6O2 272.70
1.05
zinostatin; neocarzinostatin 9014-02-2 C9H13NO2S 199.27
2.36
mizoribine 50924-49-7 C9H13N3O6 259.22
-1.12
pyrazofurin; pyrazomycin 30868-30-5 C9H13N3O6 259.22
1.15
lobaplatin 135558-11-1 C9H16N2O3Pt 395.33
1.48
trofosfamide 22089-22-1 C9H18Cl3N2O2P 323.59
0.75
altretamine 645-05-6 C9H18N6 210.28
2.73
talabostat 149682-77-9 C9H19BN2O3 214.07
0.71
mafosfamide 88859-04-5 C9H19Cl2N2O5PS2 401.27
1.90
bropirimine 56741-95-8 C10H8BrN3O 266.10
1.33
clofarabine 123318-82-1 C10H11ClFN5O3 303.68
-0.31
tocladesine 41941-56-4 C10H11ClN5O6P 363.65
1.90
baclofen 1134-47-0 C10H12ClNO2 213.66
-0.80
tezacitabine 130306-02-4 C10H12FN3O4 257.22
2.02
fludarabine phosphate 75607-67-9 C10H13FN5O7P 365.21
0.28
tiazofurine 60084-10-8 C10H14N2O3S 242.30
1.11
tenuazonic acid 610-88-8 C10H15NO3 197.23
1.35
semustine 13909-09-6 C10H18ClN3O2 247.72
3.30
ecomustine 98383-18-7 C10H18ClN3O6 311.72
0.14
ranimustine 58994-96-0 C10H18ClN3O7 327.72
-0.69
glufosfamide 132682-98-5 C10H21Cl2N2O7P 383.16
-0.85
mannomustine 576-68-1 C10H22Cl2N2O4 305.20
-0.75
satraplatin 129580-63-8 C10H22Cl2N2O4Pt 500.29
1.65
mannosulfan 7518-35-6 C10H22O14S4 494.53
-0.48
ritrosulfan 4148-16-7 C10H24N2O8S2 364.44
-0.49
metoprine 7761-45-7 C11H10Cl2N4 269.13
2.69
nilutamide 63612-50-0 C11H10F4N3O4 324.21
2.31
flutamide 13311-84-7 C11H11F3N2O3 276.21
3.35
forodesine 209799-67-7 C11H14N4O4 266.26
-0.49
sardomozide 149400-88-4 C11H14N6 230.27
-1.19
anaxirone 77658-97-0 C11H15N3O5 269.26
-0.56
carmofur 61422-45-5 C11H16FN3O3 257.26
-0.82
miboplatin 103775-75-3 C11H18N2O4Pt 437.36
1.53
sebriplatin 110172-45-7 C11H20N2O4Pt 439.38
0.89
zeniplatin 111490-36-9 C11H20N2O6Pt 471.38
0.26
meturedepa 1661-29-6 C11H22N3O3P 275.29
1.57
tasisulam 519055-62-0 C11H6BrCl2NO3S2 415.12
0.38
triplatin tetranitrate 172903-00-3 C12H50Cl2N14O12Pt3 1238.79
0.13
pirfenidone 53179-13-8 C12H11NO 185.23
1.68
peldesine 133432-71-0 C12H11N5O 241.25
0.58
tegafur-uracil 74578-38-4 C12H13FN4O5 312.26
0.04
trenimon; triaziquone 68-76-8 C12H13N3O2 231.25
-0.13
benaxibine 27661-27-4 C12H15NO6 269.25
1.64
benzodepa 1980-45-6 C12H16N3O3P 281.25
1.79
nelzarabine 121032-29-9 C12H17N5O5 311.30
-0.54
pumitepa 42061-52-9 C12H19N8OP 322.31
0.28
darinaparsin 69819-86-9 C12H22AsN3O6S 411.31
-0.89
piposulfan 2608-24-4 C12H22N2O8S2 386.44
-0.46
etoglucid 1954-28-5 C12H22O6 262.30
0.10
batabulin 195533-53-0 C13H7F6NO3S 371.25
2.67
pomalidomide 19171-19-8 C13H11N3O4 273.25
1.01
zilascorb [2-H] 122431-96-3 C13H12O6 264.23
-0.64
dinalin 58338-59-3 C13H13N3O 227.27
0.12
lenalidomide [both enantiomers] 191732-72-6 C13H13N3O3 259.26
0.77
metomidate 5377-20-8 C13H14N2O2 230.27
1.89
triciribine 35943-35-2 C13H16N6O4 320.31
-0.30
sparsomycin 1404-64-4 C13H19N3O5S2 361.44
1.29
enloplatin 111523-41-2 C13H22N2O5Pt 481.42
1.02
indisulam 165668-41-7 C14H12ClN3O4S2 385.85
-0.17
neocuproine 484-11-7 C14H12N2 208.26
2.02
mitindomide 10403-51-7 C14H12N2O4 272.26
3.11
nolatrexed 147149-76-6 C14H12N4OS 284.34
3.53
fadrozole 102676-47-1 C14H13N3 223.28
2.05
simtrazene 5579-27-1 C14H16N4 240.31
3.82
fotretamine 37132-72-2 C14H28N9OP3 431.36
-0.46
LY-83583 91300-60-6 C15H10N2O2 250.26
3.34
daniquidone 67199-66-0 C15H11N3O 249.27
1.83
idronoxil; dehydroequol; phenoxodiol 81267-65-4 C15H12O3 240.26
3.10
semaxanib; SU-5416 194413-58-6 C15H14N2O 238.29
2.40
tacedinaline 112522-64-2 C15H15N3O2 269.30
1.17
apaziquone 114560-48-4 C15H16N2O4 288.30
0.85
irofulven 158440-71-2 C15H18O3 246.31
4.77
carboquone 24279-91-2 C15H19N3O5 321.33
-0.40
damsin 1216-42-8 C15H20O3 248.32
2.90
riboprine 7724-76-7 C15H21N5O4 335.36
-0.67
capecitabine 154361-50-9 C15H24FN3O6 361.37
0.53
marimastat 154039-60-8 C15H29N3O5 331.41
-0.91
vorozole 118949-22-7 C16H13ClN6 324.77
2.24
laromustine 173424-77-6 C6H14ClN3O5S2 307.77
0.83
clanfenur 51213-99-1 C16H15ClFN3O2 335.77
3.84
sulofenur 110311-27-8 C16H15ClN2O3S 350.82
2.15
mitonafide 54824-17-8 C16H15N3O4 313.31
1.93
antramycin 4803-27-4 C16H17N3O4 315.33
1.45
bendamustine 16506-27-7 C16H21Cl2N3O2 358.27
2.07
inproquone 436-40-8 C16H22N2O4 306.36
-0.13
geroquinol 10457-66-6 C16H22O2 246.35
1.51
ubenimex 58970-76-6 C16H24N2O4 308.38
-1.17
yttrium [90-Y] tacatuzumab tetraxetan 476413-07-7 C16H25N5O7[90Y] 489.40
0.09
cioteronel 89672-11-7 C16H28O2 252.40
6.01
tilomisole 58433-11-7 C17H11ClN2O2S 342.80
2.46
letrozole 112809-51-5 C17H11N5 285.31
2.59
mitoflaxone 87626-55-9 C17H12O4 280.28
3.40
liarozole 115575-11-6 C17H13ClN4 308.77
2.50
vadimezan 117570-53-3 C17H14O4 282.29
3.36
anastrozole; Arimidex 120511-73-1 C17H19N5 293.37
2.99
mivobulin 122332-18-7 C17H19N5O2 325.37
3.26
piritrexim 72732-56-0 C17H19N5O2 325.37
1.17
pixantrone 144510-96-3 C17H19N5O2 325.37
2.04
propamidine 104-32-5 C17H20N4O2 312.37
2.14
mycophenolic acid 24280-93-1 C17H20O6 320.34
2.83
azotomycin 7644-67-9 C17H23N7O8 453.41
0.46
muricatacin 134698-86-5 C17H32O3 284.43
0.52
intiquinatine; [formerly tiliquinatine] 445041-75-8 C18H14BrNO4 388.22
3.57
roquinimex 84088-42-6 C18H16N2O3 308.34
3.10
pinafide 54824-20-3 C18H17N3O4 339.35
2.16
cevipabulin 849550-05-6 C18H18ClF5N6O 464.83
2.76
denibulin 284019-34-7 C18H19N5O3S 385.45
3.11
nitracrine 4533-39-5 C18H20N4O2 324.38
2.23
prinomastat; AG-3340 192329-42-3 C18H21N3O5S2 423.51
1.63
see CAS 84-16-2 5635-50-7 C18H22O2 270.37
5.07
masoprocol 27686-84-6 C18H22O4 302.37
3.03
nor-dihydroguaiaretic acid 500-38-9 C18H22O4 302.37
3.05
dibrospidium chloride 86641-76-1 C18H32Br2Cl2N4O2 567.20
-1.18
prospidium chloride 23476-83-7 C18H36Cl4N4O2 482.32
-1.56
safingol 15639-50-6 C18H39NO2 301.51
5.79
elesclomol 488832-69-5 C19H20N4O2S2 400.52
1.62
galocitabine 124012-42-6 C19H22FN3O8 439.40
1.30
trimetrexate 52128-35-5 C19H23N5O3 369.42
1.03
testolactone 968-93-4 C19H24O3 300.40
2.32
bortezomib 179324-69-7 C19H25BN4O4 384.24
-0.45
seliciclib; Roscovitine 186692-46-6 C19H26N6O 354.46
1.57
fostriecin 87810-56-8 C19H27O9P 430.39
5.83
mopidamol 13665-88-8 C19H31N7O4 421.50
0.95
annosquamosin B 177742-56-2 C19H32O3 308.46
4.02
mitoquidone 91753-07-0 C20H13NO2 299.33
3.27
vatalanib; PTK-787 212141-54-3 C20H15ClN4 346.82
2.26
rubitecan 91421-42-0 C20H15N3O6 393.35
2.34
telantinib 332012-40-5 C20H16ClN5O3 409.83
2.06
exisulind 59973-80-7 C20H17FO4S 372.41
0.55
obatoclax 803712-67-6 C20H19N3O 317.39
2.93
acodazole 79152-85-5 C20H19N5O 345.41
4.79
pemetrexed disodium salt 150399-23-8 C20H21N5Na2O6 473.4
3.02
pemetrexed 137281-23-3 C20H21N5O6 427.42
0.68
ninopterin 2179-16-0 C20H21N7O6 455.43
-1.85
piroxantrone 91441-23-5 C20H23N5O4 397.43
1.53
BBR-34384 438244-41-8 C20H24N6O2 380.45
3.90
nortopixantrone 156090-17-4 C20H24N6O2 380.45
3.90
exemestane 107868-30-4 C20H24O2 296.41
1.56
dienogest 65928-58-7 C20H25NO2 311.42
2.63
pelitrexol 446022-33-9 C20H25N5O6S 463.51
1.43
trilostane 13647-35-3 C20H27NO3 329.44
4.01
amsilarotene 125973-56-0 C20H27NO3Si2 385.61
4.73
alitreninoin 5300-03-8 C20H28O2 300.44
6.30
tretinoin 302-79-4 C20H28O2 300.44
6.30
fluoxymesterone 76-43-7 C20H29FO3 336.45
3.36
peretinoin 81485-25-8 C20H30O2 302.46
6.29
dromostanolone; drostanolone 58-19-5 C20H32O2 304.47
3.76
cedefingol 35301-24-7 C20H41NO3 343.55
6.53
sorafenib 284461-73-0 C21H16ClF3N4O3 464.83
5.78
diflomotecan 220997-97-7 C21H16F2N2O4 398.36
4.02
(-)-Ci-cdp1 128050-92-0 C21H18N4O3 374.40
3.51
entinostat 209783-80-2 C21H20N4O3 376.42
3.15
dovitinib 405169-16-6 C21H21FN6O 392.44
3.34
raltitrexed; Tomudex; ICI D1694 112887-68-0 C21H22N4O6S 458.49
2.45
panobinostat 404950-80-7 C21H23N3O2 349.43
2.87
pazopanib 444731-52-6 C21H23N7O2S 437.53
0.51
intoplicine 125974-72-3 C21H24N4O 348.45
4.00
teloxantrone 91441-48-4 C21H25N5O4 411.46
1.54
ombrabulin 181816-48-8 C21H26N2O6 402.45
2.92
toxipantrone 156090-18-5 C21H26N6O2 394.48
4.00
plomestane 77016-85-4 C21H26O2 310.44
3.10
ketotrexate 52196-22-2 C21H27N7O6 473.49
-0.74
aderbasib 791828-58-5 C21H28N4O5 416.48
3.21
tosedostat 238750-77-1 C21H30N2O6 406.48
2.35
calusterone 17021-26-0 C21H32O2 316.48
2.60
indibulin 204205-90-3 C22H16ClN3O2 389.84
3.78
rosabulin 501948-05-6 C22H16N4O2S 400.46
2.02
axitinib 319460-85-0 C22H18N4OS 386.48
3.84
(-)-epigallocatechin gallate 989-51-5 C22H18O11 458.37
2.54
U-67786 105622-88-6 C22H19N3O3 373.41
3.65
bisantrene 78186-34-2 C22H22N8 398.47
-0.83
enpromate 10087-89-5 C22H23NO2 333.43
3.20
erlotinib 183321-74-6 C22H23N3O4 393.44
3.41
motesanib 453562-69-1 C22H23N5O 373.46
3.27
tylophorin deriv.; T-6888-019 C22H25NO4 367.44
3.29
edatrexate 80576-83-6 C22H25N7O5 467.49
-1.85
dasatinib 302962-49-8 C22H26ClN7O2S 488.01
2.03
sunitinib 557795-19-4 C22H27FN4O2 398.48
2.76
pazelliptine 65222-35-7 C22H27N5 361.49
3.01
losoxantrone 88303-60-0 C22H27N5O4 425.49
4.06
ametantrone 64862-96-0 C22H28N4O4 412.49
1.99
banoxantrone 136470-65-0 C22H28N4O6 444.49
1.77
mitoxantrone 65271-80-9 C22H28N4O6 444.49
1.62
batimastat 130370-60-4 C22H29N3O4S2 463.62
1.42
puromycin 53-79-2 C22H29N7O5 471.52
-0.21
salirasib 162520-00-5 C22H30O2S 358.54
3.38
megestrol 3562-63-8 C22H30O3 342.48
2.82
terameprocol 24150-24-1 C22H30O4 358.48
3.96
sobuzoxane 98631-95-9 C22H34N4O10 514.53
1.14
annosquamosin A 177742-55-1 C22H34O4 362.50
3.84
brequinar sodium 96201-88-6 C23H14F2NNaO2 397.36
5.64
brequinar; DuP 785 96187-53-0 C23H15F2NO2 375.37
4.31
chlorotrianisene; Tace 569-57-3 C23H21ClO3 380.87
6.46
tubulozole, 84697-22-3 C23H23Cl2N3O4S 508.42
2.56
crisnatol 96389-68-3 C23H23NO2 345.44
5.80
pralatrexate 146464-95-1 C23H23N7O5 477.48
-1.85
topotecan hydrochloride 119413-54-6 C23H24ClN3O5 457.91
2.61
estramustine phosphate disodium 52205-73-9 C23H30Cl2NNa2O6P 564.35
1.00
estramustine 2998-57-4 C23H31Cl2NO3 440.41
0.92
mycophenolate mofetil 128794-94-5 C23H31NO7 433.50
3.00
exatecan 171335-80-1 C24H22FN3O4 435.45
3.61
pelitinib 257933-82-7 C24H23ClFN5O2 467.93
3.56
olaparib 763113-22-0 C24H23FN4O3 434.47
4.34
canertinib 267243-28-7 C24H25ClFN5O3 485.95
3.36
metesind 138384-68-6 C24H25N3O3S 435.55
2.01
tylophorin 482-20-2 C24H27NO4 393.48
3.35
bexarotene 153559-49-0 C24H28O2 348.48
2.17
budotitane 85969-07-9 C24H28O6Ti 460.38
2.85
omtripolide 195883-06-8 C24H28O9 460.48
2.33
daporinad 201034-75-5 C24H29N3O2 391.51
3.94
ledoxantrone 113457-05-9 C24H34N5O2S 424.57
2.81
eptaloprost 90693-76-8 C24H34O5 402.53
1.82
romidepsin 128517-07-7 C24H36N4O6S2 540.70
-1.13
carbetimer 82230-03-3 C24H37N5O8 523.59
1.03
sizofiran 9050-67-3 C24H42O21 666.58
-3.70
streptonigrin; rufocromomycin 3930-19-6 C25H22N4O8 506.47
1.75
mubritinib 366017-09-6 C25H23F3N4O2 468.48
2.44
duocarmycin SA 130288-24-3 C25H23N3O7 477.47
5.71
gimatecan 292618-32-7 C25H25N3O5 447.49
2.47
belotecan 256411-32-2 C25H27N3O4 433.51
3.07
retelliptine 72238-02-9 C25H32N4O 404.56
4.37
tilorone 27591-97-5 C25H34N2O3 410.56
3.83
mepitiostane 21362-69-6 C25H40O2S 404.66
3.96
perifosine [inner salt] 157716-52-4 C25H52NO4P 461.67
3.24
lestaurtinib 111358-88-4 C26H21N3O4 439.47
3.90
plevitrexed 153537-73-6 C26H25FN8O4 532.54
0.62
cyclopropa[c]pyrrolo(3,2-e)indole deriv. 134106-68-6 C26H25N3O7 491.50
5.85
duocarmycin A 118292-34-5 C26H25N3O8 507.50
4.79
medorubicin 64314-52-9 C26H27NO10 513.50
1.27
toremifene; chlorotamoxifen 89778-26-7 C26H28ClNO 405.97
4.79
annonidin B 112710-70-0 C26H28N2 368.51
3.96
bosutinib 380843-75-4 C26H29Cl2N5O3 530.46
3.81
danusertib 827318-97-8 C26H30N6O3 474.56
4.08
fumagillin 23110-15-8 C26H34O7 458.55
6.29
canfosfamide 158382-37-7 C26H40Cl4N5O10PS 787.48
0.76
sapacitabine 151823-14-2 C26H42N4O5 490.64
3.96
ilmofosine 83519-04-4 C26H56NO5PS 525.77
3.94
inolitazone 223132-37-4 C27H26N4O4S 502.59
3.80
talotrexin 113857-87-7 C27H27N9O6 573.57
-1.85
esorubicin 63521-85-7 C27H29NO10 527.53
1.27
lonafarnib 193275-84-2 C27H31Br2ClN4O2 638.84
3.10
5-iminodoxorubicin hydrochloride 77331-69-2 C27H31ClN2O10 579.00
1.27
saracatinib 379231-04-6 C27H32ClN5O5 542.04
2.99
patubilone; epothilone B 152044-54-7 C27H41NO6S 507.69
4.21
ixabepilone 219989-84-1 C27H42N2O5S 506.71
3.86
taltobulin 228266-40-8 C27H43N3O4 473.66
2.39
elacytarabine 188181-42-2 C27H45N3O6 507.67
6.93
emitefur 110690-43-2 C28H19FN4O8 558.48
3.27
dynemicin Q 138370-14-6 C28H19NO9 513.46
1.27
dynemicin P 138370-13-5 C28H21NO9 515.47
1.27
nilotinib 641571-10-0 C28H22F3N7O 529.53
1.66
fosquidone 114517-02-1 C28H22NO6P 499.46
4.73
masitinib 790299-79-5 C28H30N6OS 498.65
4.20
dynemicin O 138370-12-4 C29H23NO10 545.50
1.27
dynemicin M 127003-54-7 C29H23NO8 513.50
1.27
lapatinib 231277-92-2 C29H26ClFN4O4S 581.07
3.09
edotecarin 174402-32-5 C29H28N4O11 608.56
2.62
neratinib 698387-09-6 C29H30ClN5O4 548.04
3.89
elomotecan 220998-10-7 C29H32ClN3O4 522.04
4.00
miproxifene 129612-87-9 C29H35NO2 429.60
4.65
xanthomycin A; guamecycline 16545-11-2 C29H38N8O8 626.67
-1.08
mofarotene 125533-88-2 C29H39NO2 433.64
1.94
omacetaxine mepesuccinate 26833-87-4 C29H39NO9 545.63
2.46
lexacalcitol 131875-08-6 C29H48O4 460.70
4.54
hypericin 548-04-9 C30H16O8 C30H16O8
2.69
dynemicin A 124412-57-3 C30H19NO9 537.48
1.28
adozelesin; U-73,975 110314-48-2 C30H22N4O4 502.53
6.74
dynemicin N 127003-55-8 C30H23NO10 557.51
1.27
dynemicin H 129985-03-1 C30H23NO9 541.51
1.27
U-68415 104713-40-8 C30H23N5O3 501.55
6.82
U-71184 101222-80-4 C30H23N5O3 501.55
6.82
bafetinib 887650-05-7 C30H31F3N8O 576.63
2.26
dofequidar 129716-58-1 C30H31N3O3 481.60
5.38
toremifene citrate 89778-27-8 C30H32ClNO8 570.04
1.79
balamapimod 863029-99-6 C30H32ClN7OS 574.15
4.09
galarubicin 140637-86-1 C30H32FNO13 633.58
1.27
ispinesib 336113-53-2 C30H33ClN4O2 517.07
4.24
brostallicin 203258-60-0 C30H35BrN12O5 723.60
1.25
imatinib mesylate 220127-57-1 C30H35N7O4S 589.72
2.81
retaspimycin 857402-23-4 C30H43N3O8 573.69
1.87
betulinic aldehyde 13159-28-9 C30H48O2 440.71
4.15
oleanolic aldehyde C30H48O2 440.71
4.15
ursolic aldehyde C30H48O2 440.71
4.15
betulinic acid 472-15-1 C30H48O3 456.71
4.15
ursolic acid 77-52-1 C30H48O3 456.71
4.15
alphitolic acid 19533-92-7 C30H48O4 472.71
4.15
corosolic acid 4547-24-4 C30H48O4 472.71
4.15
maslinic acid 4373-41-5 C30H48O4 472.71
4.15
betulin 473-98-3 C30H50O2 444.74
4.15
elinafide 162706-37-8 C31H28N4O4 520.59
4.18
tandutinib 387867-13-2 C31H42N6O4 562.71
2.72
tanespimycin; allylaminogeldanamycin 75747-14-7 C31H43N3O8 585.70
0.67
enocitabine 55726-47-1 C31H55N3O6 565.80
6.79
(-)-Ci-cdp2 128049-56-9 C32H26N6O4 558.60
5.91
(+)-Ci-cdp2 128049-57-0 C32H26N6O4 558.60
5.91
enzastaurin 170364-57-5 C32H29N5O2 515.62
2.16
zosuquidar 167354-41-8 C32H31F2N3O2 527.61
3.80
elsamitrucin 97068-30-9 C32H33NO14 655.61
3.27
pibrozelesin 154889-68-6 C32H36BrN5O8 698.58
2.50
pibrozelesin hydrobromide 148778-32-9 C32H37Br2N5O8 779.49
1.86
nemorubicin 108852-90-0 C32H37NO13 643.64
1.27
sabarubicin 211100-13-9 C32H37NO13 643.64
1.27
tallimustine 115308-98-0 C32H38Cl2N10O4 697.63
3.40
irinotecan hydrochloride 100286-90-6 C32H39ClN4O6 611.14
4.45
alvespimycin 467214-20-6 C32H48N4O8 616.76
-0.31
tasidotin 192658-64-3 C32H58N6O5 606.85
-2.43
dynemicin S 132645-97-7 C33H27NO11S 645.64
1.27
etalocib 161172-51-6 C33H33FO6 544.62
3.11
becatecarin 119673-08-4 C33H34Cl2N4O7 669.56
4.14
irinotecan 97682-44-5 C33H38N4O6 586.69
4.35
detorubicin 66211-92-5 C33H39NO14 673.67
1.27
disermolide; discodermolide 127943-53-7 C33H55NO8 593.80
5.80
U-76074 119813-15-9 C34H31N5O4 573.65
6.63
elacridar 143664-11-3 C34H33N3O5 563.65
3.35
berubicin 677017-23-1 C34H35NO11 633.65
1.27
zorubicin 54083-22-6 C34H35N3O10 645.66
1.27
valrubicin 56124-62-0 C34H36F3NO13 723.65
1.27
biricodar 159997-94-1 C34H41N3O7 603.72
3.25
fosfluridine tidoxil 174638-15-4 C34H62FN2O10PS 740.91
3.75
squalamine 148717-90-2 C34H65N3O5S 627.97
4.15
miriplatin 141977-79-9 C34H68N2O4Pt 764.02
9.50
U-78057; (+)-Cpi-cdpi2 114251-19-3 C35H29N7O4 611.66
5.72
midostaurin 120685-11-2 C35H30N4O4 570.65
4.20
quarfloxin 865311-47-3 C35H33FN6O3 604.69
0.96
MJE-3 C35H41N2O7 601.72
4.21
cemadotin 159776-69-9 C35H56N6O5 640.87
-1.72
annonacin-10-one 123266-21-7 C35H62O7 594.86
9.96
cohibin C 189508-31-4 C35H64O4 548.88
9.18
cohibin D 189508-32-5 C35H64O4 548.88
9.17
annonacin 111035-65-5 C35H64O7 596.88
9.48
annonacin-A-one 170900-30-8 C35H64O7 596.88
10.09
goniothalamicin 113817-64-4 C35H64O7 596.88
9.91
goniothalamicinone 170900-27-3 C35H64O7 596.88
10.11
annomuricin A, (C19/C20-erythro) 167172-78-3 C35H64O8 612.88
9.69
annomuricin B, (C10/C11,C19/C20-erythro) 167355-37-5 C35H64O8 612.88
9.69
annomuricin C, (all threo) 167355-39-7 C35H64O8 612.88
9.69
annomuricin E 205303-64-6 C35H64O8 612.88
9.69
muricapentocin 205304-30-9 C35H64O8 612.88
9.73
(+)-Cbi-cdpi2 128300-15-2 C36H28N6O4 608.66
6.79
dexniguldipine 120054-86-6 C36H39N3O6 609.72
2.20
laniquidar 197509-46-9 C37H36N4O3 584.72
5.11
aristoforin 849215-53-8 C37H54O6 594.83
2.97
annonin VI 129212-94-8 C37H66O7 622.92
10.0
bullatacin 102989-24-2 C37H66O7 622.92
9.98
gigantetronenin 145403-31-2 C37H66O7 622.92
8.67
gigantetroneninone 177535-01-2 C37H66O7 622.92
9.85
annomontacin 137550-92-6 C37H68O7 624.93
9.97
tariquidar 206873-63-4 C38H38N4O6 646.74
3.19
nogalamycin 1404-15-5 C39H49NO16 787.81
2.20
bietaserpine 53-18-9 C39H53N3O9 707.86
2.76
soblitodin 149606-27-9 C39H67N5O6 701.99
-1.48
squamocin 120298-30-8 C39H70O5 618.97
9.79
streptovarycin 1404-74-6 C40H51NO14 769.84
1.87
carfilzomib 868540-17-4 C40H57N5O7 719.92
-1.34
eribulin 253128-41-5 C40H61NO11 731.92
5.40
bistramid A; bistratene A 115566-02-4 C40H68N2O8 704.99
5.40
carzelesin 119813-10-4 C41H37ClN6O5 729.24
2.90
lapatinib ditosylate [monohydrate ] 388082-78-8 C41H38ClFN4O10S3 897.42
-2.16
atrimustine 75219-46-4 C41H47Cl2NO6 720.73
1.58
bizelesin 129655-21-6 C43H36Cl2N8O5 815.72
-0.77
timcodar 179033-51-3 C43H45ClN4O6 749.31
4.82
vindesine 53643-48-4 C43H55N5O7 753.94
1.39
milataxel 393101-41-2 C44H55NO16 853.91
2.00
ortataxel 186348-23-2 C44H57NO17 871.93
2.00
afeletecan 215604-75-4 C45H49N7O11S 895.99
1.21
larotaxel 156294-36-9 C45H53NO14 831.91
1.99
vinflunine 162652-95-1 C45H54F2N4O8 816.94
1.38
vinorelbine [base] 71486-22-1 C45H54N4O8 778.95
1.18
cabazitaxel 183133-96-2 C45H57NO14 835.94
2.20
vinformide 54022-49-0 C46H54N4O10 822.96
1.33
vinepidine 68170-69-4 C46H56N4O9 808.97
2.69
vinleurosine 23360-92-1 C46H56N4O9 808.97
1.35
simotaxel 791635-59-1 C46H57NO15S 896.02
2.00
tesetaxel 333754-36-2 C46H60FN3O13 368.40
2.59
vinzolidine 67699-40-5 C48H56ClN5O9 882.45
1.40
motexafin 189752-49-6 C48H67N5O10 874.09
2.27
octreotide 83150-76-9 C49H66N10O10S2 1019.26
-0.99
paclitaxel ceribate 186040-50-6 C51H57NO18 972.01
1.91
vinleucinol 81571-28-0 C51H69N5O9 896.14
3.69
vinfosiltine 123286-00-0 C51H72N5O10P 946.14
2.73
plicamycin; mithramycin; aurelic acid 18378-89-7 C52H76O24 1085.16
1.70
deforolimus 572924-54-0 C53H84NO14P 990.22
2.29
calicheamicin gamma(1)I 108212-75-5 C55H74IN3O21S4 1368.35
2.24
vintriptol 81600-06-8 C56H68N6O9 969.19
1.63
vapreotide 103222-11-3 C57H70N12O9S2 1131.39
0.56
leuprorelin; leuprorelide 53714-56-0 C57H80N16O12 1181.37
2.16
plitidepsin 137219-37-5 C57H87N7O15 1110.36
-0.32
bleomycin A2 [sulfate] 11056-06-7 C58H84N17O21S3 1415.56
3.74
marinomycin A C59H78O14 1011.26
4.90
leuprolide acetate 74381-53-6 C59H84N16O14 1241.42
2.16
mifamurtide 83461-56-7 C59H109N6O19P 1237.52
1.29
buserelin 57982-77-1 C60H86N16O13 1239.45
2.16
peplomycin 68247-85-8 C61H88N18O21S2 1473.61
-0.46
valspodar 121584-18-7 C63H111N11O12 1214.65
-0.32
triptorelin 57773-63-4 C64H82N18O13 1311.47
-0.97
edotreotide 204318-14-9 C65H92N14O18S2 1421.66
-0.32
talisomycin 65057-90-1 C68H110N22O27S2 1731.88
2.15


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