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

Drug Details

add
Name:CHEMBL61413
PubChem ID:44301748
Pathway:Show KEGG pathways
InChI:InChI=1S/C30H57N11O7/c1-6-10-17(3)16-37-25(45)20(11-8-13-35-29(31)32)39-27(47)22(15-23(43)44)40-28(48)24(18(4)7-2)41-26(46)21(38-19(5)42)12-9-14-36-30(33)34/h17-18,20-22,24H,6-16H2,1-5H3,(H,37,45)(H,38,42)(H,39,47)(H,40,48)(H,41,46)(H,43,44)(H4,31,32,35)(H4,33,34,36)/t17-,18-,20-,21-,22-,24-/m0/s1
SMILES:CCC[C@@H](CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)C)CCCN=C(N)N)CC(=O)O)CCCN=C(N)N)C

Properties:
Formula:C30H57N11O7Atoms:48
Molecular Weight:683.843Rotatable Bonds:29
H-bond Acceptors:18H-bond Donors:10
logP:2.8816
Targets:
Synonyms:
CHEBI:192189
CHEMBL61413