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Name:CHEMBL26970
PubChem ID:44276425
Pathway:Show KEGG pathways
InChI:InChI=1S/C34H27N3O9S/c1-13-4-7-17(8-5-13)36-34(47)37-35-12-16-10-15-6-9-18-23(21(15)29(41)22(16)33(44)45)30(42)25-26(32(18)46-3)31(43)24-19(28(25)40)11-20(38)14(2)27(24)39/h4-5,7-8,10-12,35,38-39,44-45H,6,9H2,1-3H3,(H2,36,37,47)/b16-12-
SMILES:COC1=C2CCC3=C/C(=C/NNC(=S)Nc4ccc(cc4)C)/C(=C(O)O)C(=O)C3=C2C(=O)C2=C1C(=O)c1c(C2=O)cc(c(c1O)C)O

Properties:
Formula:C34H27N3O9SAtoms:47
Molecular Weight:653.658Rotatable Bonds:6
H-bond Acceptors:13H-bond Donors:7
logP:5.0304
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136308
CHEMBL26970