Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:CHEMBL96767
PubChem ID:14980561
Pathway:Show KEGG pathways
InChI:InChI=1S/C36H36N2O4S/c1-23-17-29-32(42-22-27-14-13-26(20-37-27)25-10-6-5-7-11-25)16-15-30-33(29)34(43-23)31(19-36(2,3)35(39)40)38(30)21-24-9-8-12-28(18-24)41-4/h5-16,18,20,23H,17,19,21-22H2,1-4H3,(H,39,40)
SMILES:COc1cccc(c1)Cn1c(CC(C(=O)O)(C)C)c2c3c1ccc(c3CC(S2)C)OCc1ccc(cn1)c1ccccc1

Properties:
Formula:C36H36N2O4SAtoms:43
Molecular Weight:592.747Rotatable Bonds:10
H-bond Acceptors:7H-bond Donors:1
logP:8.0292
Targets:
Synonyms:
CHEBI:253322
CHEMBL96767