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GW5

Summary
Name:(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID
Synonyms:GW5638
DPC 974
Formula:C25 H22 O2
Formal charge:0
Formula weight:354.441 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2E)-3-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenyl}prop-2-enoic acid
OpenEye OEToolkits1.5.0(E)-3-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)\C=C\c3ccc(\C(=C(/c1ccccc1)CC)c2ccccc2)cc3
InChIInChI1.03InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23-
InChIKeyInChI1.03HJQQVNIORAQATK-DDJBQNAASA-N
SMILES_CANONICALCACTVS3.385CCC(/c1ccccc1)=C(\c2ccccc2)c3ccc(\C=C\C(O)=O)cc3
SMILESCACTVS3.385CCC(c1ccccc1)=C(c2ccccc2)c3ccc(C=CC(O)=O)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.5CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3
SMILESOpenEye OEToolkits1.7.5CCC(=C(c1ccccc1)c2ccc(cc2)C=CC(=O)O)c3ccccc3

225946

PDB entries from 2024-10-09

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