
 CHEMBL3889744

 76 80  0  0  0  0  0  0  0  0999 V2000
    5.2453   -1.4518   -0.3285 C   0  0  0  0  0
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   12.3934    3.9206    6.8694 H   0  0  0  0  0
    9.6645    5.0248    7.7095 H   0  0  0  0  0
   10.9724    5.9698    6.9822 H   0  0  0  0  0
   11.1998    5.2121    8.5664 H   0  0  0  0  0
    9.8928    2.4208    7.8173 H   0  0  0  0  0
   11.3733    2.6849    8.7568 H   0  0  0  0  0
   11.4132    1.6797    7.3003 H   0  0  0  0  0
    1.8093    5.4936   -3.0890 H   0  0  0  0  0
   -0.0229    3.8680   -2.9191 H   0  0  0  0  0
    0.2513    1.8326   -1.5735 H   0  0  0  0  0
    2.7117    1.2369    0.8952 H   0  0  0  0  0
    2.9300    0.2741   -0.6093 H   0  0  0  0  0
    1.3227    0.6083    0.0280 H   0  0  0  0  0
    5.2076    4.9815   -2.2788 H   0  0  0  0  0
    4.3307    6.0321   -1.1112 H   0  0  0  0  0
    3.9889    6.1120   -2.8366 H   0  0  0  0  0
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   10.1730   -3.1758    2.2938 H   0  0  0  0  0
    9.2440   -4.4263    1.3971 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3889744

>  <PubChem CID>
134129917

>  <Formula>
C29H40N6O

>  <Molecular Weight>
488.680000

>  <IUPAC Name>
2-(2,6-dimethylphenyl)-4-[(2S,4S)-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-/m0/s1

>  <InChI Key>
CKBAYCPZJJQREU-VXKWHMMOSA-N

