
 SCHEMBL14660427

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M  END

>  <Chemical Name>
SCHEMBL14660427

>  <PubChem CID>
71238927

>  <Formula>
C33H42N4O2

>  <Molecular Weight>
526.725000

>  <IUPAC Name>
2-(2,6-dimethylphenyl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CC(CCN1C2=NC(=NC3=C2CN(CC3)C4=C(C=CC(=C4)C5(COC5)C)C)C6=C(C=CC=C6C)C)OC

>  <Isomeric SMILES>
C[C@@H]1C[C@@H](CCN1C2=NC(=NC3=C2CN(CC3)C4=C(C=CC(=C4)C5(COC5)C)C)C6=C(C=CC=C6C)C)OC

>  <InChI Std. ID>
InChI=1S/C33H42N4O2/c1-21-10-11-25(33(5)19-39-20-33)17-29(21)36-14-13-28-27(18-36)32(37-15-12-26(38-6)16-24(37)4)35-31(34-28)30-22(2)8-7-9-23(30)3/h7-11,17,24,26H,12-16,18-20H2,1-6H3/t24-,26-/m1/s1

>  <InChI Key>
DMJXXJUMVCRNQY-AOYPEHQESA-N

