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

Drug Details

add
Name:CHEMBL263606
PubChem ID:44270284
Pathway:Show KEGG pathways
InChI:InChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38-,40+,41-,42+,43+,44+,45-,46-/m1/s1
SMILES:NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)[C@H](O)C)Cc1ccccc1)C(=O)N)Cc1c[nH]c2c1cccc2

Properties:
Formula:C54H67N11O9S2Atoms:76
Molecular Weight:1078.31Rotatable Bonds:14
H-bond Acceptors:21H-bond Donors:12
logP:4.952
Targets:
Synonyms:
CHEBI:116110
CHEMBL263606