73R

(3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one


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Chemical Component Summary

Name(3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one
Identifiers(3~{S})-1-[(1~{S},2~{R},4~{R})-4-[methyl(propan-2-yl)amino]-2-propyl-cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
FormulaC26 H36 F3 N5 O
Molecular Weight491.592
TypeNON-POLYMER
Isomeric SMILESCCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)Nc3c4cc(ccc4ncn3)C(F)(F)F)N(C)C(C)C
InChIInChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1
InChIKeyNUJWKQSEJDYCDB-GNRVTEMESA-N

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count4
Bond Count74
Aromatic Bond Count11

Related Resource References

Resource NameReference
Pharos CHEMBL3577945
PubChem 68764898
ChEMBL CHEMBL3577945