
 CHEMBL1765630

 66 69  0  0  0  0  0  0  0  0999 V2000
    6.0833    0.9949    2.5726 C   0  0  0  0  0
    5.8912    1.1275    1.0674 C   0  0  0  0  0
    4.4032    1.2711    0.7112 C   0  0  0  0  0
    4.1163    1.6014   -0.7031 N   0  0  0  0  0
    4.7945    0.7066   -1.6558 C   0  0  0  0  0
    4.3398   -0.7615   -1.6545 C   0  0  0  0  0
    5.0961   -1.5499   -2.7258 C   0  0  0  0  0
    4.6355   -3.0017   -2.8144 C   0  0  0  0  0
    5.3491   -3.6914   -3.8702 N   0  0  0  0  0
    4.8623   -4.8343   -4.4706 C   0  0  0  0  0
    3.7598   -5.3116   -4.2341 O   0  0  0  0  0
    5.7593   -5.4611   -5.4837 C   0  0  0  0  0
    7.1499   -5.3804   -5.3797 C   0  0  0  0  0
    7.9636   -5.9400   -6.3710 C   0  0  0  0  0
    7.4217   -6.6186   -7.4780 C   0  0  0  0  0
    6.0193   -6.7199   -7.5431 C   0  0  0  0  0
    5.1958   -6.1493   -6.5606 C   0  0  0  0  0
    8.3026   -7.1922   -8.5245 C   0  0  0  0  0
    9.5588   -7.7425   -8.2033 C   0  0  0  0  0
   10.4136   -8.2463   -9.1890 C   0  0  0  0  0
   10.0242   -8.2277  -10.5233 C   0  0  0  0  0
    8.7820   -7.7059  -10.8701 C   0  0  0  0  0
    7.9343   -7.1908   -9.8822 C   0  0  0  0  0
    2.6514    1.7835   -0.9427 C   0  0  0  0  0
    2.2950    2.0430   -2.4321 C   0  0  0  0  0
    0.7846    2.1553   -2.6418 C   0  0  0  0  0
    0.1653    3.0314   -1.6736 N   0  0  0  0  0
    0.7198    3.3939   -0.4811 C   0  0  0  0  0
   -0.2219    4.1875    0.1320 C   0  0  0  0  0
   -1.3066    4.2235   -0.7641 C   0  0  0  0  0
   -1.0764    3.5057   -1.8696 N   0  0  0  0  0
   -0.1324    4.9690    1.6293 Cl  0  0  0  0  0
    2.0916    2.9663   -0.0891 C   0  0  0  0  0
    7.1413    0.8444    2.8086 H   0  0  0  0  0
    5.5212    0.1420    2.9663 H   0  0  0  0  0
    5.7459    1.8980    3.0916 H   0  0  0  0  0
    6.3202    0.2394    0.5915 H   0  0  0  0  0
    6.4503    2.0012    0.7122 H   0  0  0  0  0
    4.0247    2.0773    1.3474 H   0  0  0  0  0
    3.8712    0.3573    1.0042 H   0  0  0  0  0
    5.8773    0.7463   -1.4864 H   0  0  0  0  0
    4.7028    1.1193   -2.6673 H   0  0  0  0  0
    3.2646   -0.8304   -1.8515 H   0  0  0  0  0
    4.5227   -1.2177   -0.6750 H   0  0  0  0  0
    6.1727   -1.5194   -2.5134 H   0  0  0  0  0
    4.9583   -1.0686   -3.7025 H   0  0  0  0  0
    3.5590   -3.0626   -3.0054 H   0  0  0  0  0
    4.8454   -3.5326   -1.8794 H   0  0  0  0  0
    6.2507   -3.3302   -4.1461 H   0  0  0  0  0
    7.6262   -4.9028   -4.5289 H   0  0  0  0  0
    9.0411   -5.8269   -6.2689 H   0  0  0  0  0
    5.5427   -7.2557   -8.3622 H   0  0  0  0  0
    4.1144   -6.2393   -6.6451 H   0  0  0  0  0
    9.8910   -7.7925   -7.1687 H   0  0  0  0  0
   11.3820   -8.6530   -8.9095 H   0  0  0  0  0
   10.6869   -8.6190  -11.2905 H   0  0  0  0  0
    8.4720   -7.6909  -11.9119 H   0  0  0  0  0
    6.9821   -6.7684  -10.1962 H   0  0  0  0  0
    2.1273    0.8668   -0.6368 H   0  0  0  0  0
    2.6423    1.2343   -3.0825 H   0  0  0  0  0
    2.7842    2.9663   -2.7692 H   0  0  0  0  0
    0.3051    1.1761   -2.5305 H   0  0  0  0  0
    0.5656    2.5431   -3.6422 H   0  0  0  0  0
   -2.2516    4.7396   -0.6583 H   0  0  0  0  0
    2.7585    3.8339   -0.1785 H   0  0  0  0  0
    2.0609    2.6812    0.9687 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4 24  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  7 46  1  0  0  0
  8  9  1  0  0  0
  8 47  1  0  0  0
  8 48  1  0  0  0
  9 10  1  0  0  0
  9 49  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 50  1  0  0  0
 14 15  2  0  0  0
 14 51  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 52  1  0  0  0
 17 53  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 20 21  2  0  0  0
 20 55  1  0  0  0
 21 22  1  0  0  0
 21 56  1  0  0  0
 22 23  2  0  0  0
 22 57  1  0  0  0
 23 58  1  0  0  0
 24 25  1  0  0  0
 24 33  1  0  0  0
 24 59  1  0  0  0
 25 26  1  0  0  0
 25 60  1  0  0  0
 25 61  1  0  0  0
 26 27  1  0  0  0
 26 62  1  0  0  0
 26 63  1  0  0  0
 27 31  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
 30 64  1  0  0  0
 33 65  1  0  0  0
 33 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1765630

>  <PubChem CID>
52937777

>  <Formula>
C27H33ClN4O

>  <Molecular Weight>
465.038000

>  <IUPAC Name>
N-[4-[(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCCCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3CCN4C(=C(C=N4)Cl)C3

>  <Isomeric SMILES>
CCCN(CCCCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3CCN4C(=C(C=N4)Cl)C3

>  <InChI Std. ID>
InChI=1S/C27H33ClN4O/c1-2-16-31(24-14-18-32-26(19-24)25(28)20-30-32)17-7-6-15-29-27(33)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-13,20,24H,2,6-7,14-19H2,1H3,(H,29,33)

>  <InChI Key>
DJUWRNXEJLCKJK-UHFFFAOYSA-N

