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Drug Details

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Name:CHEMBL94689
PubChem ID:10440821
Pathway:Show KEGG pathways
InChI:InChI=1S/C49H71N7O10/c1-13-25(5)42(47(63)54-40(49(65)66)20-33-23-50-36-18-16-15-17-34(33)36)56-48(64)43(26(6)14-2)55-46(62)39(22-41(58)59)53-44(60)37(19-24(3)4)52-45(61)38(51-32(12)57)21-35-30(10)28(8)27(7)29(9)31(35)11/h15-18,23-26,37-40,42-43,50H,13-14,19-22H2,1-12H3,(H,51,57)(H,52,61)(H,53,60)(H,54,63)(H,55,62)(H,56,64)(H,58,59)(H,65,66)/t25-,26-,37-,38+,39-,40-,42-,43-/m0/s1
SMILES:CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1c(C)c(C)c(c(c1C)C)C)NC(=O)C)CC(C)C)CC(=O)O)C

Properties:
Formula:C49H71N7O10Atoms:66
Molecular Weight:918.129Rotatable Bonds:30
H-bond Acceptors:16H-bond Donors:9
logP:6.4668
Targets:
Synonyms:
CHEBI:255877
CHEMBL94689
CID 10440821
CID10440821