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Drug Details

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Name:CHEMBL112600
PubChem ID:14621446
Pathway:Show KEGG pathways
InChI:InChI=1S/C39H57N9O9/c1-7-21(5)32(37(54)46-30(39(56)57)14-23-17-42-27-12-10-9-11-25(23)27)48-38(55)33(22(6)8-2)47-36(53)29(16-31(49)50)45-35(52)28(13-20(3)4)44-34(51)26(40)15-24-18-41-19-43-24/h9-12,17-22,26,28-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,50)(H,56,57)
SMILES:CCC(C(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]cnc1)N)CC(C)C)CC(=O)O)C

Properties:
Formula:C39H57N9O9Atoms:57
Molecular Weight:795.925Rotatable Bonds:28
H-bond Acceptors:16H-bond Donors:10
logP:3.7799
Targets:
Synonyms:
CHEBI:283543
CHEMBL112600