
 SCHEMBL14663204

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M  END

>  <Chemical Name>
SCHEMBL14663204

>  <PubChem CID>
71240719

>  <Formula>
C30H35ClN6O

>  <Molecular Weight>
531.101000

>  <IUPAC Name>
6-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CC(CCN1C2=NC(=NC3=C2CN(CC3)C4=C(C=CC(=C4)Cl)C)C5=C(C=CC6=NNC(=C65)C)C)OC

>  <Isomeric SMILES>
C[C@@H]1C[C@@H](CCN1C2=NC(=NC3=C2CN(CC3)C4=C(C=CC(=C4)Cl)C)C5=C(C=CC6=NNC(=C65)C)C)OC

>  <InChI Std. ID>
InChI=1S/C30H35ClN6O/c1-17-6-8-21(31)15-26(17)36-12-11-24-23(16-36)30(37-13-10-22(38-5)14-19(37)3)33-29(32-24)27-18(2)7-9-25-28(27)20(4)34-35-25/h6-9,15,19,22H,10-14,16H2,1-5H3,(H,34,35)/t19-,22-/m1/s1

>  <InChI Key>
BJZNBLNWGJBCGY-DENIHFKCSA-N

