
 SCHEMBL14660667

 76 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL14660667

>  <PubChem CID>
71239070

>  <Formula>
C29H40N6O

>  <Molecular Weight>
488.680000

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

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CC(CCN1C2=NC(=NC3=C2CN(CC3)C4=CC(=NN4C)C(C)C)C5=C(C=CC=C5C)C)OC

>  <Isomeric SMILES>
C[C@@H]1C[C@@H](CCN1C2=NC(=NC3=C2CN(CC3)C4=CC(=NN4C)C(C)C)C5=C(C=CC=C5C)C)OC

>  <InChI Std. ID>
InChI=1S/C29H40N6O/c1-18(2)25-16-26(33(6)32-25)34-13-12-24-23(17-34)29(35-14-11-22(36-7)15-21(35)5)31-28(30-24)27-19(3)9-8-10-20(27)4/h8-10,16,18,21-22H,11-15,17H2,1-7H3/t21-,22-/m1/s1

>  <InChI Key>
CKBAYCPZJJQREU-FGZHOGPDSA-N

