EQF

(3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione

Created:	2020-01-21
Last modified:	2024-09-27

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1 entries where EQF is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	2
Bond Count	33
Aromatic Bond Count	6

2D diagram of EQF

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Chemical Component Summary
Name	(3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione
Systematic Name (OpenEye OEToolkits)	(3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione
Formula	C₁₂ H₁₁ Cl F₃ N₃ O₂
Molecular Weight	321.683
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH]1[CH](C)C(=O)N(Nc2ccc(c(Cl)n2)C(F)(F)F)C1=O
SMILES	OpenEye OEToolkits	2.0.7	CC1C(C(=O)N(C1=O)Nc2ccc(c(n2)Cl)C(F)(F)F)C
Canonical SMILES	CACTVS	3.385	C[C@H]1[C@@H](C)C(=O)N(Nc2ccc(c(Cl)n2)C(F)(F)F)C1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H]1[C@@H](C(=O)N(C1=O)Nc2ccc(c(n2)Cl)C(F)(F)F)C
InChI	InChI	1.03	InChI=1S/C12H11ClF3N3O2/c1-5-6(2)11(21)19(10(5)20)18-8-4-3-7(9(13)17-8)12(14,15)16/h3-6H,1-2H3,(H,17,18)/t5-,6+
InChIKey	InChI	1.03	VNVYEXPACGNQBD-OLQVQODUSA-N

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.