XMK

1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE

Created:2001-07-27
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count63
Aromatic Bond Count12
2D diagram of XMK

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Chemical Component Summary

Name1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
Systematic Name (OpenEye OEToolkits)1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine
FormulaC23 H29 Cl N4 O2 S
Molecular Weight461.02
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)\C=C\S(=O)(=O)N4CCN(CC3CCN(c2ccncc2)CC3)CC4
SMILESCACTVS3.341Clc1ccc(cc1)C=C[S](=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C=CS(=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4)Cl
Canonical SMILESCACTVS3.341 Clc1ccc(cc1)\C=C\[S](=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1\C=C\S(=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4)Cl
InChIInChI1.03 InChI=1S/C23H29ClN4O2S/c24-22-3-1-20(2-4-22)9-18-31(29,30)28-16-14-26(15-17-28)19-21-7-12-27(13-8-21)23-5-10-25-11-6-23/h1-6,9-11,18,21H,7-8,12-17,19H2/b18-9+
InChIKeyInChI1.03 ZOSSOFIFNGGDKG-GIJQJNRQSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08746 
Name1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
Groups experimental
Synonyms1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Coagulation factor XMGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKK...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 446346