744

(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE

Created:	2006-06-15
Last modified:	2011-06-04

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1 entries where 744 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	6

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Chemical Component Summary
Name	(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	(3S)-N-(5-chloro-2-methyl-phenyl)-1-cyclohexyl-5-oxo-pyrrolidine-3-carboxamide
Formula	C₁₈ H₂₃ Cl N₂ O₂
Molecular Weight	334.84
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc(c(cc1)C)NC(=O)C3CC(=O)N(C2CCCCC2)C3
SMILES	CACTVS	3.341	Cc1ccc(Cl)cc1NC(=O)[CH]2CN(C3CCCCC3)C(=O)C2
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1NC(=O)C2CC(=O)N(C2)C3CCCCC3)Cl
Canonical SMILES	CACTVS	3.341	Cc1ccc(Cl)cc1NC(=O)[C@@H]2CN(C3CCCCC3)C(=O)C2
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3)Cl
InChI	InChI	1.03	InChI=1S/C18H23ClN2O2/c1-12-7-8-14(19)10-16(12)20-18(23)13-9-17(22)21(11-13)15-5-3-2-4-6-15/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKey	InChI	1.03	RJWMDETWDDESBP-ZDUSSCGKSA-N

Drug Info: DrugBank

DrugBank ID	DB07222
Name	(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE
Groups	experimental
Synonyms	(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE

Drug Targets

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