
 CHEMBL293070

 65 68  0  0  0  0  0  0  0  0999 V2000
    1.6607    6.0824   -4.7392 C   0  0  0  0  0
    2.7672    5.0344   -4.8489 C   0  0  0  0  0
    4.0401    5.6441   -5.4418 C   0  0  0  0  0
    2.9878    4.3792   -3.5600 N   0  0  0  0  0
    2.3007    3.2874   -3.0817 C   0  0  0  0  0
    1.2603    2.5135   -3.6200 C   0  0  0  0  0
    0.7745    1.4520   -2.8499 C   0  0  0  0  0
    1.3087    1.1720   -1.5948 C   0  0  0  0  0
    2.3441    1.9531   -1.0706 C   0  0  0  0  0
    2.8445    3.0329   -1.8258 C   0  0  0  0  0
    3.8383    4.0364   -1.6354 C   0  0  0  0  0
    3.9099    4.8659   -2.6997 N   0  0  0  0  0
    4.7072    4.2173   -0.4593 C   0  0  0  0  0
    4.7126    3.4523    0.4998 O   0  0  0  0  0
    5.5189    5.3294   -0.5471 N   0  0  0  0  0
    6.5448    5.6467    0.4355 C   0  0  0  0  0
    7.8197    4.8335    0.2171 C   0  0  0  0  0
    8.5869    5.2949   -1.0227 C   0  0  0  0  0
    8.9006    6.7340   -0.9884 N   0  0  0  0  0
    7.6771    7.5386   -0.8075 C   0  0  0  0  0
    6.8792    7.1360    0.4315 C   0  0  0  0  0
    9.5724    7.1743   -2.2292 C   0  0  0  0  0
   10.9510    6.5449   -2.4743 C   0  0  0  0  0
   11.5451    7.0647   -3.7875 C   0  0  0  0  0
   12.8881    6.4048   -4.1040 C   0  0  0  0  0
   13.4174    6.8592   -5.4421 C   0  0  0  0  0
   14.2647    7.9710   -5.5326 C   0  0  0  0  0
   14.7292    8.4063   -6.7750 C   0  0  0  0  0
   14.3474    7.7386   -7.9373 C   0  0  0  0  0
   13.5000    6.6352   -7.8590 C   0  0  0  0  0
   13.0353    6.1979   -6.6177 C   0  0  0  0  0
    0.7277    5.6344   -4.3798 H   0  0  0  0  0
    1.4575    6.5367   -5.7147 H   0  0  0  0  0
    1.9345    6.8806   -4.0407 H   0  0  0  0  0
    2.4373    4.2474   -5.5384 H   0  0  0  0  0
    4.4169    6.4712   -4.8300 H   0  0  0  0  0
    3.8469    6.0347   -6.4468 H   0  0  0  0  0
    4.8343    4.8936   -5.5197 H   0  0  0  0  0
    0.8336    2.7242   -4.5950 H   0  0  0  0  0
   -0.0347    0.8362   -3.2369 H   0  0  0  0  0
    0.9168    0.3421   -1.0116 H   0  0  0  0  0
    2.7523    1.7320   -0.0872 H   0  0  0  0  0
    5.4798    5.8037   -1.4458 H   0  0  0  0  0
    6.1326    5.3833    1.4179 H   0  0  0  0  0
    7.5896    3.7653    0.1263 H   0  0  0  0  0
    8.4678    4.9419    1.0973 H   0  0  0  0  0
    9.5136    4.7118   -1.0517 H   0  0  0  0  0
    8.0147    5.0428   -1.9246 H   0  0  0  0  0
    7.9508    8.5956   -0.6986 H   0  0  0  0  0
    7.0342    7.4665   -1.6945 H   0  0  0  0  0
    7.4667    7.3754    1.3275 H   0  0  0  0  0
    5.9608    7.7332    0.4846 H   0  0  0  0  0
    9.7175    8.2619   -2.1799 H   0  0  0  0  0
    8.9254    6.9810   -3.0955 H   0  0  0  0  0
   10.8750    5.4545   -2.5382 H   0  0  0  0  0
   11.6235    6.7808   -1.6407 H   0  0  0  0  0
   11.6685    8.1537   -3.7318 H   0  0  0  0  0
   10.8377    6.8701   -4.6042 H   0  0  0  0  0
   12.7843    5.3123   -4.1102 H   0  0  0  0  0
   13.6185    6.6357   -3.3186 H   0  0  0  0  0
   14.5659    8.5060   -4.6350 H   0  0  0  0  0
   15.3877    9.2687   -6.8358 H   0  0  0  0  0
   14.7085    8.0794   -8.9039 H   0  0  0  0  0
   13.1989    6.1159   -8.7650 H   0  0  0  0  0
   12.3697    5.3389   -6.5722 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  4  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  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 39  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 10  2  0  0  0
  9 42  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
 15 43  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 18 48  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 20 50  1  0  0  0
 21 51  1  0  0  0
 21 52  1  0  0  0
 22 23  1  0  0  0
 22 53  1  0  0  0
 22 54  1  0  0  0
 23 24  1  0  0  0
 23 55  1  0  0  0
 23 56  1  0  0  0
 24 25  1  0  0  0
 24 57  1  0  0  0
 24 58  1  0  0  0
 25 26  1  0  0  0
 25 59  1  0  0  0
 25 60  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 61  1  0  0  0
 28 29  2  0  0  0
 28 62  1  0  0  0
 29 30  1  0  0  0
 29 63  1  0  0  0
 30 31  2  0  0  0
 30 64  1  0  0  0
 31 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL293070

>  <PubChem CID>
11796305

>  <Formula>
C26H34N4O

>  <Molecular Weight>
418.585000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)CCCCC4=CC=CC=C4

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)CCCCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H34N4O/c1-20(2)30-24-14-7-6-13-23(24)25(28-30)26(31)27-22-15-18-29(19-16-22)17-9-8-12-21-10-4-3-5-11-21/h3-7,10-11,13-14,20,22H,8-9,12,15-19H2,1-2H3,(H,27,31)

>  <InChI Key>
AHRROTRASDKRNS-UHFFFAOYSA-N

