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Drug Details

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Name:CHEMBL231602
PubChem ID:9874254
Pathway:Show KEGG pathways
InChI:InChI=1S/C33H31N3O9S/c1-13-19(37)11-18-23(26(13)38)30(42)25-24(27(18)39)29(41)22-17(31(25)45-2)9-8-14-10-15(21(32(43)44)28(40)20(14)22)12-34-36-33(46)35-16-6-4-3-5-7-16/h10-12,16,34,37-38,43-44H,3-9H2,1-2H3,(H2,35,36,46)/b15-12+
SMILES:COC1=C2CCC3=C/C(=C\NNC(=S)NC4CCCCC4)/C(=C(O)O)C(=O)C3=C2C(=O)C2=C1C(=O)c1c(C2=O)cc(c(c1O)C)O

Properties:
Formula:C33H31N3O9SAtoms:46
Molecular Weight:645.679Rotatable Bonds:6
H-bond Acceptors:13H-bond Donors:7
logP:4.8501
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:484774
CHEMBL231602
CID 9874254
CID9874254