
 CHEMBL293381

 59 62  0  0  0  0  0  0  0  0999 V2000
    3.6402    8.5683   -4.9222 C   0  0  0  0  0
    3.8792    7.0725   -5.1191 C   0  0  0  0  0
    5.3211    6.8011   -5.5594 C   0  0  0  0  0
    3.5122    6.3267   -3.9165 N   0  0  0  0  0
    2.3087    5.7124   -3.6635 C   0  0  0  0  0
    1.1196    5.6197   -4.4028 C   0  0  0  0  0
    0.0618    4.8961   -3.8429 C   0  0  0  0  0
    0.1869    4.2882   -2.5959 C   0  0  0  0  0
    1.3774    4.3912   -1.8681 C   0  0  0  0  0
    2.4544    5.1198   -2.4100 C   0  0  0  0  0
    3.7712    5.4547   -1.9893 C   0  0  0  0  0
    4.4028    6.2164   -2.9097 N   0  0  0  0  0
    4.4532    5.0811   -0.7368 C   0  0  0  0  0
    3.9686    4.3481    0.1175 O   0  0  0  0  0
    5.6998    5.6545   -0.6504 N   0  0  0  0  0
    6.6785    5.4225    0.3996 C   0  0  0  0  0
    7.8446    4.5870   -0.1194 C   0  0  0  0  0
    8.6623    5.3498   -1.1643 C   0  0  0  0  0
    9.1326    6.6663   -0.7004 N   0  0  0  0  0
    8.0449    7.4817   -0.1246 C   0  0  0  0  0
    7.2198    6.7464    0.9327 C   0  0  0  0  0
    9.7616    7.4371   -1.8046 C   0  0  0  0  0
   10.9423    6.7363   -2.5027 C   0  0  0  0  0
   11.5379    7.5485   -3.6323 C   0  0  0  0  0
   12.8894    7.9160   -3.6038 C   0  0  0  0  0
   13.4569    8.6149   -4.6714 C   0  0  0  0  0
   12.6805    8.9554   -5.7772 C   0  0  0  0  0
   11.3354    8.5965   -5.8176 C   0  0  0  0  0
   10.7679    7.8924   -4.7542 C   0  0  0  0  0
    2.5905    8.7683   -4.6807 H   0  0  0  0  0
    3.8872    9.1248   -5.8324 H   0  0  0  0  0
    4.2497    8.9674   -4.1038 H   0  0  0  0  0
    3.2229    6.7145   -5.9208 H   0  0  0  0  0
    6.0467    7.2003   -4.8415 H   0  0  0  0  0
    5.5216    7.2686   -6.5293 H   0  0  0  0  0
    5.5052    5.7257   -5.6584 H   0  0  0  0  0
    1.0089    6.0903   -5.3741 H   0  0  0  0  0
   -0.8741    4.8069   -4.3905 H   0  0  0  0  0
   -0.6480    3.7295   -2.1795 H   0  0  0  0  0
    1.4668    3.9181   -0.8930 H   0  0  0  0  0
    5.9542    6.1916   -1.4771 H   0  0  0  0  0
    6.1853    4.8793    1.2141 H   0  0  0  0  0
    7.4807    3.6498   -0.5575 H   0  0  0  0  0
    8.4979    4.3137    0.7197 H   0  0  0  0  0
    9.5257    4.7189   -1.4039 H   0  0  0  0  0
    8.0726    5.4532   -2.0840 H   0  0  0  0  0
    8.4763    8.3743    0.3453 H   0  0  0  0  0
    7.3716    7.8386   -0.9151 H   0  0  0  0  0
    7.8452    6.5569    1.8143 H   0  0  0  0  0
    6.3926    7.3885    1.2591 H   0  0  0  0  0
   10.1290    8.3895   -1.3987 H   0  0  0  0  0
    8.9956    7.6917   -2.5493 H   0  0  0  0  0
   10.6327    5.7795   -2.9385 H   0  0  0  0  0
   11.7129    6.5063   -1.7564 H   0  0  0  0  0
   13.5146    7.6499   -2.7545 H   0  0  0  0  0
   14.5088    8.8866   -4.6426 H   0  0  0  0  0
   13.1257    9.4937   -6.6097 H   0  0  0  0  0
   10.7301    8.8556   -6.6825 H   0  0  0  0  0
    9.7216    7.6021   -4.8160 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
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 16 21  1  0  0  0
 16 17  1  0  0  0
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 23 24  1  0  0  0
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 26 27  2  0  0  0
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 28 29  2  0  0  0
 28 58  1  0  0  0
 29 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL293381

>  <PubChem CID>
10834269

>  <Formula>
C24H30N4O

>  <Molecular Weight>
390.531000

>  <IUPAC Name>
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide

>  <XlogP>
4.400

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)CCC4=CC=CC=C4

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)CCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H30N4O/c1-18(2)28-22-11-7-6-10-21(22)23(26-28)24(29)25-20-13-16-27(17-14-20)15-12-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,25,29)

>  <InChI Key>
APRJLRLJBAXHOO-UHFFFAOYSA-N

