
 CHEMBL58803

 56 59  0  0  0  0  0  0  0  0999 V2000
    9.5113   11.7291   -6.2598 C   0  0  0  0  0
    8.1704   11.5372   -5.5498 C   0  0  0  0  0
    7.1776   12.6478   -5.8880 C   0  0  0  0  0
    7.6141   10.2026   -5.7670 N   0  0  0  0  0
    7.2938    9.5973   -6.9608 C   0  0  0  0  0
    7.2968   10.0415   -8.2928 C   0  0  0  0  0
    6.9516    9.1251   -9.2923 C   0  0  0  0  0
    6.6125    7.8133   -8.9771 C   0  0  0  0  0
    6.5902    7.3869   -7.6467 C   0  0  0  0  0
    6.9291    8.2946   -6.6237 C   0  0  0  0  0
    7.0028    8.2366   -5.2026 C   0  0  0  0  0
    7.4268    9.4103   -4.6853 N   0  0  0  0  0
    6.6665    7.0917   -4.3422 C   0  0  0  0  0
    6.1952    6.0427   -4.7733 O   0  0  0  0  0
    6.9200    7.3208   -3.0063 N   0  0  0  0  0
    6.5082    6.4186   -1.9394 C   0  0  0  0  0
    7.2430    5.0742   -1.9712 C   0  0  0  0  0
    8.7017    5.2143   -1.5440 C   0  0  0  0  0
    8.8206    5.8237   -0.2067 N   0  0  0  0  0
    8.1929    7.1552   -0.1934 C   0  0  0  0  0
    6.7106    7.0714   -0.5711 C   0  0  0  0  0
   10.2506    5.8891    0.1635 C   0  0  0  0  0
   10.5347    6.3762    1.5705 C   0  0  0  0  0
   11.6538    7.1899    1.8095 C   0  0  0  0  0
   11.9506    7.6309    3.1003 C   0  0  0  0  0
   11.1380    7.2589    4.1686 C   0  0  0  0  0
   10.0360    6.4345    3.9493 C   0  0  0  0  0
    9.7438    5.9849    2.6607 C   0  0  0  0  0
   10.2011   10.9124   -6.0198 H   0  0  0  0  0
    9.9799   12.6686   -5.9481 H   0  0  0  0  0
    9.4030   11.7633   -7.3477 H   0  0  0  0  0
    8.3717   11.6037   -4.4716 H   0  0  0  0  0
    6.9196   12.6631   -6.9509 H   0  0  0  0  0
    7.5966   13.6276   -5.6341 H   0  0  0  0  0
    6.2475   12.5240   -5.3226 H   0  0  0  0  0
    7.5581   11.0591   -8.5609 H   0  0  0  0  0
    6.9517    9.4429  -10.3327 H   0  0  0  0  0
    6.3579    7.1125   -9.7684 H   0  0  0  0  0
    6.3173    6.3620   -7.4056 H   0  0  0  0  0
    7.1955    8.2793   -2.8008 H   0  0  0  0  0
    5.4372    6.2350   -2.0929 H   0  0  0  0  0
    7.2018    4.6167   -2.9653 H   0  0  0  0  0
    6.7385    4.3765   -1.2895 H   0  0  0  0  0
    9.1455    4.2111   -1.5314 H   0  0  0  0  0
    9.2520    5.8005   -2.2919 H   0  0  0  0  0
    8.2442    7.5960    0.8082 H   0  0  0  0  0
    8.7152    7.8416   -0.8723 H   0  0  0  0  0
    6.1806    6.4833    0.1906 H   0  0  0  0  0
    6.2717    8.0761   -0.5560 H   0  0  0  0  0
   10.7878    6.5205   -0.5574 H   0  0  0  0  0
   10.6883    4.8842    0.0959 H   0  0  0  0  0
   12.3033    7.4849    0.9884 H   0  0  0  0  0
   12.8184    8.2629    3.2709 H   0  0  0  0  0
   11.3660    7.6069    5.1721 H   0  0  0  0  0
    9.4028    6.1398    4.7818 H   0  0  0  0  0
    8.8832    5.3376    2.5016 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  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 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 39  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 40  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 25 26  2  0  0  0
 25 53  1  0  0  0
 26 27  1  0  0  0
 26 54  1  0  0  0
 27 28  2  0  0  0
 27 55  1  0  0  0
 28 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL58803

>  <PubChem CID>
10499786

>  <Formula>
C23H28N4O

>  <Molecular Weight>
376.504000

>  <IUPAC Name>
N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H28N4O/c1-17(2)27-21-11-7-6-10-20(21)22(25-27)23(28)24-19-12-14-26(15-13-19)16-18-8-4-3-5-9-18/h3-11,17,19H,12-16H2,1-2H3,(H,24,28)

>  <InChI Key>
BWNPJXJNWYUPES-UHFFFAOYSA-N

