LigandBoxID:D02197

NAME:Vincristine sulfate;VCR;Oncovin
SMILES: CCC2(CN1CCc6c5ccccc5nc6C(c3cc7c(N(C9C(C(C8(C=CCN4CCC97C84)CC)OC(=O)C)(C(OC)=O)O)C=O)cc3OC)(C(OC)=O)CC(C2)C1)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02197

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C46H58N4O10 826.988 2 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
10 11 -5.4994 -12.8871
LOGS LOGP    
$$$$ 0.7719    

Links to the same SMILES compounds

LIGANDBOX C07204 C13974 D08679 KSH2016-04026393
CHEMBL CHEMBL1200537 CHEMBL1363013 CHEMBL1396825 CHEMBL1437846 CHEMBL1734496
CHEMBL1740907 CHEMBL303560 CHEMBL406870 CHEMBL409245 CHEMBL412933 CHEMBL413861
CHEMBL413911 CHEMBL501867 CHEMBL608550 CHEMBL90555
PUBCHEM 11491854 11506372 11700972 11957714 11957715
11981181 11982822 16004735 16202214 164143 164145
16656745 21139790 21864436 24058669 24848381 24848422
24867292 249332 2724153 2724154 3717449 3717450
44230860 44266060 44266061 44315841 44394032 44394033
44394035 44394037 44394074 45073403 45111809 45356935
45356936 45358158 46783245 46783246 486220 49802595
49803236 49803237 49803238 49803522 49803523 53298417
53298418 53310760 53316142 5388992 5388993 54149686
56661098 56841492 58771425 59051164 59051165 59051166
59051167 59051168 59088762 5978 60015216 62312
62313 6324671 6604044 9812680 9832825 9876699
9941992


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