
 CHEMBL3930062

 61 64  0  0  0  0  0  0  0  0999 V2000
    0.3405    1.0701   -0.8212 C   0  0  0  0  0
   -0.8442    1.1012    0.1381 C   0  0  0  0  0
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   -0.2657   -2.5866    2.6036 C   0  0  0  0  0
   -0.7132   -3.6610    2.2187 O   0  0  0  0  0
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   -0.6677   -4.2045    5.4463 C   0  0  0  0  0
    0.5850   -3.7066    4.7236 C   0  0  0  0  0
   -2.2376   -3.6715    7.2129 C   0  0  0  0  0
   -2.5683   -2.7362    8.3627 C   0  0  0  0  0
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   -1.8613   -1.4673   10.3270 C   0  0  0  0  0
   -3.1834   -1.0352   10.4971 C   0  0  0  0  0
   -4.1864   -1.4396    9.6151 C   0  0  0  0  0
   -3.8815   -2.2877    8.5532 C   0  0  0  0  0
   -0.9169   -0.9925   11.2611 N   0  0  0  0  0
    0.4581   -1.1677   11.2458 C   0  0  0  0  0
    1.0987   -1.7735   10.3962 O   0  0  0  0  0
    1.1407   -0.5007   12.3491 C   0  0  0  0  0
    0.6498   -0.0642   13.5658 C   0  0  0  0  0
    1.7066    0.4892   14.2328 N   0  0  0  0  0
    2.8528    0.4519   13.5397 N   0  0  0  0  0
    2.5148   -0.1658   12.4046 C   0  0  0  0  0
   -0.0264    0.9851   -1.8513 H   0  0  0  0  0
    0.8919    2.0153   -0.7570 H   0  0  0  0  0
   -1.5308    1.9039   -0.1539 H   0  0  0  0  0
   -0.4921    1.3404    1.1486 H   0  0  0  0  0
   -2.3993   -0.1868    0.8944 H   0  0  0  0  0
   -2.0724   -0.3707   -0.8270 H   0  0  0  0  0
   -1.2543   -2.3461    0.2410 H   0  0  0  0  0
    1.2376   -2.2293   -0.2198 H   0  0  0  0  0
    0.2028   -1.6549   -1.5247 H   0  0  0  0  0
    1.7675    0.0715    0.4485 H   0  0  0  0  0
    2.0756   -0.1249   -1.2720 H   0  0  0  0  0
    0.2317   -0.6324    2.1781 H   0  0  0  0  0
    1.3621   -1.9579    3.7770 H   0  0  0  0  0
   -0.7677   -0.5271    4.2343 H   0  0  0  0  0
    0.2562   -0.9619    5.5915 H   0  0  0  0  0
   -2.0635   -1.2329    6.1772 H   0  0  0  0  0
   -2.3872   -2.2985    4.8106 H   0  0  0  0  0
   -0.3857   -5.0902    6.0283 H   0  0  0  0  0
   -1.4333   -4.5229    4.7275 H   0  0  0  0  0
    1.3785   -3.5590    5.4690 H   0  0  0  0  0
    0.9455   -4.4848    4.0411 H   0  0  0  0  0
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   -1.2799   -0.3884   11.9810 H   0  0  0  0  0
   -0.3254   -0.1131   14.0271 H   0  0  0  0  0
    1.7200    0.9055   15.1586 H   0  0  0  0  0
    3.2726   -0.3406   11.6506 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 12 47  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
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 15 50  1  0  0  0
 15 51  1  0  0  0
 16 17  1  0  0  0
 16 52  1  0  0  0
 16 53  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 54  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 55  1  0  0  0
 21 22  2  0  0  0
 21 56  1  0  0  0
 22 57  1  0  0  0
 23 24  1  0  0  0
 23 58  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  2  0  0  0
 26 30  1  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 28 60  1  0  0  0
 29 30  2  0  0  0
 30 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3930062

>  <PubChem CID>
129626027

>  <Formula>
C23H31N5O2

>  <Molecular Weight>
409.534000

>  <IUPAC Name>
N-cyclohexyl-1-[[3-(1H-pyrazole-4-carbonylamino)phenyl]methyl]piperidine-4-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CNN=C4

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CNN=C4

>  <InChI Std. ID>
InChI=1S/C23H31N5O2/c29-22(26-20-6-2-1-3-7-20)18-9-11-28(12-10-18)16-17-5-4-8-21(13-17)27-23(30)19-14-24-25-15-19/h4-5,8,13-15,18,20H,1-3,6-7,9-12,16H2,(H,24,25)(H,26,29)(H,27,30)

>  <InChI Key>
BGYQAFWOGYMEIA-UHFFFAOYSA-N

