Chemical Component Summary

Name5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one
Identifiers5-[2-[[(2S)-2-azanyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
FormulaC21 H19 F3 N4 O S
Molecular Weight432.462
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C[C@@H](CNc2ncc(s2)c3ccc4c(c3)CC(=O)N4)N)C(F)(F)F
InChIInChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-26-20-27-11-18(30-20)13-3-6-17-14(8-13)9-19(29)28-17/h1-6,8,11,16H,7,9-10,25H2,(H,26,27)(H,28,29)/t16-/m0/s1
InChIKeyXPPKIHZJFAAJLB-INIZCTEOSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count52
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL1081831
PubChem 23654166
ChEMBL CHEMBL1081831