GW5

(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID

Created:	2003-10-15
Last modified:	2020-05-27

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2 entries where GW5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	18

2D diagram of GW5

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Chemical Component Summary
Name	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID
Synonyms	GW5638; DPC 974
Systematic Name (OpenEye OEToolkits)	(E)-3-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoic acid
Formula	C₂₅ H₂₂ O₂
Molecular Weight	354.441
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)\C=C\c3ccc(\C(=C(/c1ccccc1)CC)c2ccccc2)cc3
SMILES	CACTVS	3.385	CCC(c1ccccc1)=C(c2ccccc2)c3ccc(C=CC(O)=O)cc3
SMILES	OpenEye OEToolkits	1.7.5	CCC(=C(c1ccccc1)c2ccc(cc2)C=CC(=O)O)c3ccccc3
Canonical SMILES	CACTVS	3.385	CCC(/c1ccccc1)=C(\c2ccccc2)c3ccc(\C=C\C(O)=O)cc3
Canonical SMILES	OpenEye OEToolkits	1.7.5	CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3
InChI	InChI	1.03	InChI=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-
InChIKey	InChI	1.03	HJQQVNIORAQATK-DDJBQNAASA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL33899
PubChem	5288494
ChEMBL	CHEMBL33899

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