
 CHEMBL3675734

 62 65  0  0  0  0  0  0  0  0999 V2000
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   -1.8325    1.3981    3.7606 H   0  0  0  0  0
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    0.6625    1.8849    3.7978 H   0  0  0  0  0
    0.3840    3.1254    5.0018 H   0  0  0  0  0
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    1.8257    2.4380    1.5016 H   0  0  0  0  0
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    0.2593   -1.9661    1.7818 H   0  0  0  0  0
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   -2.6044   -1.8225   -1.7701 H   0  0  0  0  0
   -3.6273   -2.0350   -3.9414 H   0  0  0  0  0
   -5.2693   -2.5948   -4.1261 H   0  0  0  0  0
   -3.7647   -4.2292   -5.1270 H   0  0  0  0  0
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   -1.9758    7.4245    3.9673 H   0  0  0  0  0
   -3.4002    6.4948    3.4466 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  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 30  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3675734

>  <PubChem CID>
68379216

>  <Formula>
C24H32N4O2

>  <Molecular Weight>
408.546000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)OCCC4(CCNCC4)O)C)C

>  <Isomeric SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)OCCC4(CCNCC4)O)C)C

>  <InChI Std. ID>
InChI=1S/C24H32N4O2/c1-4-22-21(23-26-17(2)15-18(3)28(23)27-22)16-19-5-7-20(8-6-19)30-14-11-24(29)9-12-25-13-10-24/h5-8,15,25,29H,4,9-14,16H2,1-3H3

>  <InChI Key>
NEJYDAFQMGJVDI-UHFFFAOYSA-N

