LigandBoxID:D08680

NAME:Vinorelbine;Navelbine
SMILES: CCC=1CN2CC(CC(c6nc5ccccc5c6C2)(c3cc7c(N(C8C(C(C9(C=CCN4CCC87C94)CC)OC(=O)C)(C(OC)=O)O)C)cc3OC)C(OC)=O)C=1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08680

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C45H56N4O8 780.963 2 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
8 10 -5.5991 -13.5074
LOGS LOGP    
-7.6536 4.5028    

Links to the same SMILES compounds

LIGANDBOX D01935 HTS1610-06681613 HTS1610-06681614
CHEMBL CHEMBL1200655 CHEMBL538943 CHEMBL553025 CHEMBL607994
PUBCHEM 11491495 11607738 11981138 11981223 13200033
16051941 16079018 17757242 21141129 21584522 21780850
23581803 24847910 25027212 25027557 25027558 25030659
25030660 25030661 25136944 355118 355119 44424639
44517792 44558883 45055483 45358014 46931011 5311497
53262279 53828817 5672 57369433 58649030 60779
60780 6426842 9919762 9962972


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