RF3

1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine

Created:2009-02-03
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count44
Aromatic Bond Count16
2D diagram of RF3

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Chemical Component Summary

Name1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
Systematic Name (OpenEye OEToolkits)2-thiophen-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
FormulaC17 H17 N3 O2 S2
Molecular Weight359.466
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4sccc4
SMILESCACTVS3.341O=C(Cc1sccc1)N2CCC(CC2)c3onc(n3)c4sccc4
SMILESOpenEye OEToolkits1.5.0c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4
Canonical SMILESCACTVS3.341 O=C(Cc1sccc1)N2CCC(CC2)c3onc(n3)c4sccc4
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4
InChIInChI1.03 InChI=1S/C17H17N3O2S2/c21-15(11-13-3-1-9-23-13)20-7-5-12(6-8-20)17-18-16(19-22-17)14-4-2-10-24-14/h1-4,9-10,12H,5-8,11H2
InChIKeyInChI1.03 SJEVDMFUHCVNPM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08471 
Name1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
Groups experimental
Synonyms1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
HTH-type transcriptional regulator EthRMTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDL...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 1453694
ChEMBL CHEMBL1235660