
 CHEMBL552796

 46 48  0  0  0  0  0  0  0  0999 V2000
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    0.1751    0.3814   -0.6634 C   0  0  0  0  0
    0.5148   -0.3541    0.6327 C   0  0  0  0  0
    0.5984    1.7786   -0.5976 N   0  0  0  0  0
   -0.2133    2.8864   -0.5407 C   0  0  0  0  0
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   -1.2659    5.4472   -0.3849 C   0  0  0  0  0
    0.1215    5.2730   -0.3603 C   0  0  0  0  0
    0.6548    3.9711   -0.4383 C   0  0  0  0  0
    1.9623    3.4073   -0.4433 C   0  0  0  0  0
    1.9187    2.0633   -0.5582 N   0  0  0  0  0
    3.2419    4.1273   -0.3547 C   0  0  0  0  0
    3.3229    5.3419   -0.1972 O   0  0  0  0  0
    4.3389    3.3015   -0.4900 N   0  0  0  0  0
    5.6979    3.7877   -0.5350 C   0  0  0  0  0
    6.2065    3.9941   -1.9698 C   0  0  0  0  0
    7.6981    4.3624   -1.9475 C   0  0  0  0  0
    8.2213    4.6892   -3.3443 C   0  0  0  0  0
    7.4404    5.7545   -3.9680 N   0  0  0  0  0
    6.0322    5.3811   -4.0857 C   0  0  0  0  0
    5.4181    5.0784   -2.7215 C   0  0  0  0  0
    0.5083    0.1963   -2.8048 H   0  0  0  0  0
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    6.3103    3.0345   -0.0266 H   0  0  0  0  0
    5.7699    4.7184    0.0394 H   0  0  0  0  0
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    8.2806    3.5337   -1.5276 H   0  0  0  0  0
    7.8578    5.2271   -1.2898 H   0  0  0  0  0
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    5.4830    6.2083   -4.5486 H   0  0  0  0  0
    5.9251    4.5151   -4.7505 H   0  0  0  0  0
    5.3878    5.9990   -2.1244 H   0  0  0  0  0
    4.3808    4.7580   -2.8714 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL552796

>  <PubChem CID>
21252890

>  <Formula>
C17H24N4O

>  <Molecular Weight>
300.406000

>  <IUPAC Name>
N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCC3CCNCC3

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCC3CCNCC3

>  <InChI Std. ID>
InChI=1S/C17H24N4O/c1-12(2)21-15-6-4-3-5-14(15)16(20-21)17(22)19-11-13-7-9-18-10-8-13/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22)

>  <InChI Key>
CRKKBLJOBGERJR-UHFFFAOYSA-N

