CXF

CYCLOHEXYLFORMAMIDE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count22
Aromatic Bond Count0
2D diagram of CXF
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Chemical Component Summary

NameCYCLOHEXYLFORMAMIDE
Systematic Name (OpenEye OEToolkits)N-cyclohexylmethanamide
FormulaC7 H13 N O
Molecular Weight127.184
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=CNC1CCCCC1
SMILESCACTVS3.341O=CNC1CCCCC1
SMILESOpenEye OEToolkits1.5.0C1CCC(CC1)NC=O
Canonical SMILESCACTVS3.341 O=CNC1CCCCC1
Canonical SMILESOpenEye OEToolkits1.5.0 C1CCC(CC1)NC=O
InChIInChI1.03 InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
InChIKeyInChI1.03 SWGXDLRCJNEEGZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03559 
NameCyclohexylformamide
Groups experimental
Synonyms
  • Formamidocyclohexane
  • Cyclohexylformamide
  • N-formylcyclohexylamine
  • N-cyclohexylformamide
Categories
  • Acids, Acyclic
  • Alcohol Dehydrogenase, antagonists & inhibitors
  • Amides
  • Formates
CAS number766-93-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Alcohol dehydrogenase 1CMSTAGKVIKCKAAVLWELKKPFSIEEVEVAPPKAHEVRIKMVAAGICRSD...unknown
Alcohol dehydrogenase 4MGTKGKVIKCKAAIAWEAGKPLCIEEVEVAPPKAHEVRIQIIATSLCHTD...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

Related Resource References

Resource NameReference
PubChem 13017
ChEMBL CHEMBL46778
ChEBI CHEBI:17945
CCDC/CSD WOJHEJ