LigandBoxID:D06304

NAME:Vindesine
SMILES: COC(C6(c2cc7c(N(C8C(C(C9(C=CCN4CCC87C94)CC)O)(C(=O)N)O)C)cc2OC)CC1CN(CC(C1)(CC)O)CCc5c3ccccc3nc65)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D06304

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C43H57N5O7 755.957 2 8
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 11 -5.4387 -13.0404
LOGS LOGP    
-7.3173 2.9762    

Links to the same SMILES compounds

LIGANDBOX D01769 KSH2016-04026214
CHEMBL CHEMBL219146
PUBCHEM 11643449 21144653 21872799 40839 429016
429017 43116 49802862 49803524 49803813 49803814
49803815 49804103 53315429 53877415 57369774 57369775
59157896 59350281 59434867 60019028 6917840


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