566

(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE

Created:	2006-06-12
Last modified:	2011-06-04

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1 entries where 566 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	6

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Chemical Component Summary
Name	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	(3S)-1-cyclohexyl-5-oxo-N-phenyl-pyrrolidine-3-carboxamide
Formula	C₁₇ H₂₂ N₂ O₂
Molecular Weight	286.369
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3N(C1CCCCC1)CC(C(=O)Nc2ccccc2)C3
SMILES	CACTVS	3.341	O=C1C[CH](CN1C2CCCCC2)C(=O)Nc3ccccc3
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)NC(=O)C2CC(=O)N(C2)C3CCCCC3
Canonical SMILES	CACTVS	3.341	O=C1C[C@@H](CN1C2CCCCC2)C(=O)Nc3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3
InChI	InChI	1.03	InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1
InChIKey	InChI	1.03	BVUSHGJZBZMDML-ZDUSSCGKSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB07155
Name	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE
Groups	experimental
Synonyms	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Enoyl-[acyl-carrier-protein] reductase [NADH]	MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRI...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682