1BS

2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one


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Chemical Component Summary

Name2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one
Identifiers2-[(1S)-1-[(6-chloranyl-3,3-dimethyl-4H-isoquinolin-1-yl)amino]-2-phenyl-ethyl]-1H-pyrido[4,3-d]pyrimidin-4-one
FormulaC26 H24 Cl N5 O
Molecular Weight457.955
TypeNON-POLYMER
Isomeric SMILESCC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)c5cnccc5N4)Cl)C
InChIInChI=1S/C26H24ClN5O/c1-26(2)14-17-13-18(27)8-9-19(17)23(32-26)30-22(12-16-6-4-3-5-7-16)24-29-21-10-11-28-15-20(21)25(33)31-24/h3-11,13,15,22H,12,14H2,1-2H3,(H,30,32)(H,29,31,33)/t22-/m0/s1
InChIKeyDQYKHJYAOKSEPD-QFIPXVFZSA-N

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count1
Bond Count61
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL2346800
PubChem 135566787, 70789285
ChEMBL CHEMBL2346800