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

Drug Details

add
Name:CHEMBL58588
PubChem ID:44301714
Pathway:Show KEGG pathways
InChI:InChI=1S/C46H66N12O8/c1-5-27(3)26-53-41(63)34(13-9-21-51-45(47)48)56-43(65)36(25-38(60)61)57-44(66)39(28(4)6-2)58-42(64)35(14-10-22-52-46(49)50)55-37(59)23-29-15-19-33(20-16-29)54-40(62)32-18-17-30-11-7-8-12-31(30)24-32/h7-8,11-12,15-20,24,27-28,34-36,39H,5-6,9-10,13-14,21-23,25-26H2,1-4H3,(H,53,63)(H,54,62)(H,55,59)(H,56,65)(H,57,66)(H,58,64)(H,60,61)(H4,47,48,51)(H4,49,50,52)/t27-,28-,34-,35-,36-,39-/m0/s1
SMILES:CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC[C@H](CC)C)CCCN=C(N)N)CC(=O)O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)NC(=O)c1ccc2c(c1)cccc2)CCCN=C(N)N)C

Properties:
Formula:C46H66N12O8Atoms:66
Molecular Weight:915.092Rotatable Bonds:33
H-bond Acceptors:20H-bond Donors:11
logP:6.1928
Targets:
Synonyms:
CHEBI:192127
CHEMBL58588