
 CHEMBL2179699

 70 72  0  0  0  0  0  0  0  0999 V2000
    9.6096    6.6009    6.8741 C   0  0  0  0  0
    9.3287    5.0964    6.9219 C   0  0  0  0  0
    8.1606    4.7974    7.8670 C   0  0  0  0  0
    9.0326    4.5630    5.5804 N   0  0  0  0  0
    9.1356    3.2802    5.1824 C   0  0  0  0  0
    9.5777    2.1657    5.8996 C   0  0  0  0  0
    9.6261    0.9285    5.2307 C   0  0  0  0  0
    9.2225    0.8302    3.8785 C   0  0  0  0  0
    8.7694    1.9686    3.1884 C   0  0  0  0  0
    8.7450    3.1832    3.8742 C   0  0  0  0  0
    8.4040    4.4695    3.4968 C   0  0  0  0  0
    8.6017    5.2961    4.5538 N   0  0  0  0  0
    7.9018    4.9129    2.1777 C   0  0  0  0  0
    7.5594    4.0803    1.3508 O   0  0  0  0  0
    7.8381    6.2370    1.8781 N   0  0  0  0  0
    7.3365    6.6937    0.5924 C   0  0  0  0  0
    7.4850    8.2168    0.4024 C   0  0  0  0  0
    6.7233    9.0254    1.4730 C   0  0  0  0  0
    6.8865   10.5257    1.1902 C   0  0  0  0  0
    6.3629   10.8962   -0.1456 N   0  0  0  0  0
    7.0862   10.1446   -1.1985 C   0  0  0  0  0
    6.9821    8.6177   -0.9996 C   0  0  0  0  0
    4.8899   10.7808   -0.3005 C   0  0  0  0  0
    4.0823   11.5842    0.7358 C   0  0  0  0  0
    4.4093   13.1015    0.7805 C   0  0  0  0  0
    4.1306   13.8387   -0.5522 C   0  0  0  0  0
    2.6260   13.8755   -0.8721 C   0  0  0  0  0
    1.8580   14.5591    0.2699 C   0  0  0  0  0
    2.1091   13.8503    1.6091 C   0  0  0  0  0
    3.6186   13.8039    1.9109 C   0  0  0  0  0
    2.1629    0.7798    3.1438 Cl  0  0  0  0  0
   10.4735    6.7967    6.2049 H   0  0  0  0  0
    9.8693    6.9701    7.8906 H   0  0  0  0  0
    8.7272    7.1638    6.5029 H   0  0  0  0  0
   10.2552    4.6130    7.3030 H   0  0  0  0  0
    7.2353    5.2978    7.5026 H   0  0  0  0  0
    8.3843    5.1681    8.8888 H   0  0  0  0  0
    7.9689    3.7050    7.9232 H   0  0  0  0  0
    9.8944    2.2477    6.9305 H   0  0  0  0  0
    9.9797    0.0477    5.7513 H   0  0  0  0  0
    9.2673   -0.1244    3.3704 H   0  0  0  0  0
    8.4701    1.8957    2.1518 H   0  0  0  0  0
    8.1806    6.9203    2.5690 H   0  0  0  0  0
    6.2674    6.3986    0.4924 H   0  0  0  0  0
    7.9173    6.1934   -0.2143 H   0  0  0  0  0
    8.5658    8.4748    0.4719 H   0  0  0  0  0
    7.1259    8.8256    2.4862 H   0  0  0  0  0
    5.6488    8.7496    1.4816 H   0  0  0  0  0
    6.4109   11.1237    1.9901 H   0  0  0  0  0
    7.9678   10.7856    1.2393 H   0  0  0  0  0
    6.7054   10.4200   -2.2062 H   0  0  0  0  0
    8.1600   10.4335   -1.1744 H   0  0  0  0  0
    5.9300    8.2903   -1.1304 H   0  0  0  0  0
    7.5821    8.1045   -1.7828 H   0  0  0  0  0
    4.5539    9.7281   -0.2269 H   0  0  0  0  0
    4.6046   11.1273   -1.3163 H   0  0  0  0  0
    4.2533   11.1494    1.7427 H   0  0  0  0  0
    3.0119   11.4088    0.5167 H   0  0  0  0  0
    5.4916   13.1996    1.0147 H   0  0  0  0  0
    4.6935   13.3777   -1.3888 H   0  0  0  0  0
    4.4937   14.8865   -0.4616 H   0  0  0  0  0
    2.4612   14.4386   -1.8154 H   0  0  0  0  0
    2.2404   12.8466   -1.0268 H   0  0  0  0  0
    2.1964   15.6156    0.3512 H   0  0  0  0  0
    0.7695   14.5606    0.0440 H   0  0  0  0  0
    1.5835   14.3951    2.4218 H   0  0  0  0  0
    1.6880   12.8247    1.5759 H   0  0  0  0  0
    3.9865   14.8492    2.0096 H   0  0  0  0  0
    3.7990   13.2948    2.8826 H   0  0  0  0  0
    1.7446    1.2504    1.9207 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 17  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 22  1  0  0  0
 17 18  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 49  1  0  0  0
 19 50  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  1  0  0  0
 21 51  1  0  0  0
 21 52  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 30  1  0  0  0
 25 26  1  0  0  0
 25 59  1  0  0  0
 26 27  1  0  0  0
 26 60  1  0  0  0
 26 61  1  0  0  0
 27 28  1  0  0  0
 27 62  1  0  0  0
 27 63  1  0  0  0
 28 29  1  0  0  0
 28 64  1  0  0  0
 28 65  1  0  0  0
 29 30  1  0  0  0
 29 66  1  0  0  0
 29 67  1  0  0  0
 30 68  1  0  0  0
 30 69  1  0  0  0
 31 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2179699

>  <PubChem CID>
21252893

>  <Formula>
C25H39ClN4O

>  <Molecular Weight>
447.064000

>  <IUPAC Name>
N-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCC3CCN(CC3)CCC4CCCCC4.Cl

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCC3CCN(CC3)CCC4CCCCC4.Cl

>  <InChI Std. ID>
InChI=1S/C25H38N4O.ClH/c1-19(2)29-23-11-7-6-10-22(23)24(27-29)25(30)26-18-21-13-16-28(17-14-21)15-12-20-8-4-3-5-9-20;/h6-7,10-11,19-21H,3-5,8-9,12-18H2,1-2H3,(H,26,30);1H

>  <InChI Key>
BHIAJFATFHBQKD-UHFFFAOYSA-N

