UAJ

Chlorophacinone

Created:	2020-05-06
Last modified:	2020-11-11

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1 entries where UAJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	18

2D diagram of UAJ

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Chemical Component Summary
Name	Chlorophacinone
Synonyms	2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione
Systematic Name (OpenEye OEToolkits)	2-[(2~{R})-2-(4-chlorophenyl)-2-phenyl-ethanoyl]indene-1,3-dione
Formula	C₂₃ H₁₅ Cl O₃
Molecular Weight	374.816
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4ccc(Cl)cc4
SMILES	CACTVS	3.385	Clc1ccc(cc1)[CH](C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C(c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O
Canonical SMILES	CACTVS	3.385	Clc1ccc(cc1)[C@H](C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)[C@H](c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O
InChI	InChI	1.03	InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H/t19-/m1/s1
InChIKey	InChI	1.03	UDHXJZHVNHGCEC-LJQANCHMSA-N

Related Resource References

Resource Name	Reference
PubChem	76957441

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.