
 CHEMBL3675743

 59 63  0  0  0  0  0  0  0  0999 V2000
    0.1767    1.9824    4.5429 C   0  0  0  0  0
    0.7821    3.1167    3.7323 C   0  0  0  0  0
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   -3.1385    6.6607    2.8604 C   0  0  0  0  0
    0.9039    1.6093    5.2719 H   0  0  0  0  0
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   -0.7112    2.3170    5.0903 H   0  0  0  0  0
    1.7085    2.7702    3.2614 H   0  0  0  0  0
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    1.6103    2.2877    0.9446 H   0  0  0  0  0
    0.6674    2.6018   -0.5049 H   0  0  0  0  0
    1.6364   -0.0016    1.5825 H   0  0  0  0  0
    0.6415   -2.2457    1.6013 H   0  0  0  0  0
   -2.9143   -0.6764   -0.2728 H   0  0  0  0  0
   -1.9165    1.5451   -0.3161 H   0  0  0  0  0
   -4.3023   -5.2113   -1.4516 H   0  0  0  0  0
   -4.0552   -7.0442    0.3045 H   0  0  0  0  0
   -5.6758   -6.8259   -0.3404 H   0  0  0  0  0
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   -3.5440    6.0101    3.6417 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  2  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
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 31 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3675743

>  <PubChem CID>
68379135

>  <Formula>
C24H28N6O

>  <Molecular Weight>
416.529000

>  <IUPAC Name>
2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)C4=NN=C(O4)C5CCNCC5)C)C

>  <Isomeric SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)C4=NN=C(O4)C5CCNCC5)C)C

>  <InChI Std. ID>
InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3

>  <InChI Key>
HXPQWNPLNIEJOW-UHFFFAOYSA-N

