H18

6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE

Created: 2004-07-22
Last modified:  2012-01-05

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count1
Bond Count47
Aromatic Bond Count11
2D diagram of H18
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Chemical Component Summary

Name6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE
Systematic Name (OpenEye OEToolkits)6-chloro-4-[(R)-cyclohexylsulfinyl]-3-propyl-1H-quinolin-2-one
FormulaC18 H22 Cl N O2 S
Molecular Weight351.891
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Clc3ccc1c(C(=C(C(=O)N1)CCC)S(=O)C2CCCCC2)c3
SMILESCACTVS3.385CCCC1=C(c2cc(Cl)ccc2NC1=O)[S](=O)C3CCCCC3
SMILESOpenEye OEToolkits1.7.5CCCC1=C(c2cc(ccc2NC1=O)Cl)S(=O)C3CCCCC3
Canonical SMILESCACTVS3.385 CCCC1=C(c2cc(Cl)ccc2NC1=O)[S@](=O)C3CCCCC3
Canonical SMILESOpenEye OEToolkits1.7.5 CCCC1=C(c2cc(ccc2NC1=O)Cl)[S@](=O)C3CCCCC3
InChIInChI1.03 InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)/t23-/m1/s1
InChIKeyInChI1.03 QRBUGQMJMFAHKS-HSZRJFAPSA-N

Drug Info: DrugBank

DrugBank IDDB07869 
Name6-Chloro-4-[(R)-cyclohexylsulfinyl]-3-propyl-2(1H)-quinolinone
Groups experimental
Synonyms6-Chloro-4-[(R)-cyclohexylsulfinyl]-3-propyl-2(1H)-quinolinone

Drug Targets

NameTarget SequencePharmacological ActionActions
Gag-Pol polyproteinMGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...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 9600414