JGE

(R)-Ketoprofen

Created:	2019-02-20
Last modified:	2019-09-11

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2 entries where JGE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	12

2D diagram of JGE

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Chemical Component Summary
Name	(R)-Ketoprofen
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[3-(phenylcarbonyl)phenyl]propanoic acid
Formula	C₁₆ H₁₄ O₃
Molecular Weight	254.281
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](C(O)=O)c1cccc(c1)C(=O)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O
Canonical SMILES	CACTVS	3.385	C[C@@H](C(O)=O)c1cccc(c1)C(=O)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O
InChI	InChI	1.03	InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1
InChIKey	InChI	1.03	DKYWVDODHFEZIM-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL372052
PubChem	180540
ChEMBL	CHEMBL372052
COD	1550146

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