H16

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

Created: 2004-07-22
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count11
2D diagram of H16
Toggle HydrogenToggle Labels

Chemical Component Summary

Name6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE
Systematic Name (OpenEye OEToolkits)6-chloro-4-cyclohexylsulfanyl-3-propyl-1H-quinolin-2-one
FormulaC18 H22 Cl N O S
Molecular Weight335.891
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Clc3ccc2c(C(SC1CCCCC1)=C(C(=O)N2)CCC)c3
SMILESCACTVS3.341CCCC1=C(SC2CCCCC2)c3cc(Cl)ccc3NC1=O
SMILESOpenEye OEToolkits1.5.0CCCC1=C(c2cc(ccc2NC1=O)Cl)SC3CCCCC3
Canonical SMILESCACTVS3.341 CCCC1=C(SC2CCCCC2)c3cc(Cl)ccc3NC1=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCCC1=C(c2cc(ccc2NC1=O)Cl)SC3CCCCC3
InChIInChI1.03 InChI=1S/C18H22ClNOS/c1-2-6-14-17(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)
InChIKeyInChI1.03 CLKFNGKDJYMUPK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07868 
Name6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE
Groups experimental
Synonyms6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE

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 5288497, 448727
ChEMBL CHEMBL191146