5QJ

(2~{S})-1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol


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Chemical Component Summary

Name(2~{S})-1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol
Identifiers(2~{S})-1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol
FormulaC25 H27 N5 O
Molecular Weight413.515
TypeNON-POLYMER
Isomeric SMILESCn1cnc2c1cc(cc2)c3ccnc(c3)NC[C@@H](CN4CCc5ccccc5C4)O
InChIInChI=1S/C25H27N5O/c1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30/h2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyPNOIRPBZBNYURC-QFIPXVFZSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count1
Bond Count62
Aromatic Bond Count22

Related Resource References

Resource NameReference
Pharos CHEMBL3891092
PubChem 90335209
ChEMBL CHEMBL3891092