YN4

ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL)



Chemical Component Summary

NameETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL)
Identifiersethyl 4-(2-cyanoethylsulfanyl)-6-[(6-piperazin-1-ylpyridin-3-yl)methoxy]quinoline-3-carboxylate
FormulaC25 H27 N5 O3 S
Molecular Weight477.579
TypeNON-POLYMER
Isomeric SMILESCCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4
InChIInChI=1S/C25H27N5O3S/c1-2-32-25(31)21-16-28-22-6-5-19(14-20(22)24(21)34-13-3-8-26)33-17-18-4-7-23(29-15-18)30-11-9-27-10-12-30/h4-7,14-16,27H,2-3,9-13,17H2,1H3
InChIKeyBOXNSEIJTUHQDY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count0
Bond Count64
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL4172252
PubChem 124081736
ChEMBL CHEMBL4172252