
 CHEMBL2431715

 62 66  0  0  0  0  0  0  0  0999 V2000
    0.9621   -1.3953   -0.8443 C   0  0  0  0  0
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    4.1043   -0.8272    0.6799 C   0  0  0  0  0
    2.8730   -1.2764    0.7007 N   0  0  0  0  0
    8.0018    0.7498   -0.2543 C   0  0  0  0  0
    8.0288    1.6063   -1.1424 O   0  0  0  0  0
    9.1430    0.3945    0.4491 N   0  0  0  0  0
    9.4169   -0.9532    0.9675 C   0  0  0  0  0
   10.2876   -1.7656   -0.0105 C   0  0  0  0  0
   11.4468   -1.0216   -0.5358 N   0  0  0  0  0
   11.1536    0.3626   -0.9612 C   0  0  0  0  0
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   12.6047   -2.9841   -0.7805 O   0  0  0  0  0
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    2.9132    1.0842   -5.3737 C   0  0  0  0  0
    3.6310    1.8009   -4.4216 C   0  0  0  0  0
    3.7614    1.3024   -3.1217 C   0  0  0  0  0
    0.4496   -1.7093    0.0708 H   0  0  0  0  0
    0.8972   -2.2216   -1.5582 H   0  0  0  0  0
    0.4269   -0.5316   -1.2499 H   0  0  0  0  0
    5.9879    0.3087   -1.9077 H   0  0  0  0  0
    6.9931   -0.0486    2.2690 H   0  0  0  0  0
    4.7518   -0.9513    2.7357 H   0  0  0  0  0
    8.5020   -1.5123    1.1651 H   0  0  0  0  0
    9.9487   -0.8251    1.9178 H   0  0  0  0  0
   10.6155   -2.6881    0.4806 H   0  0  0  0  0
    9.6865   -2.0534   -0.8821 H   0  0  0  0  0
   12.0650    0.9179   -1.1826 H   0  0  0  0  0
   10.5746    0.2933   -1.8900 H   0  0  0  0  0
   10.9627    1.2052    1.0325 H   0  0  0  0  0
   10.1420    2.1379   -0.2223 H   0  0  0  0  0
   13.0425   -0.4138   -2.5463 H   0  0  0  0  0
   13.9227    0.3305   -0.1797 H   0  0  0  0  0
   14.9021    0.6328   -1.6066 H   0  0  0  0  0
   16.3135   -0.1794    0.1764 H   0  0  0  0  0
   15.2778   -1.5759    0.4588 H   0  0  0  0  0
   16.9025   -1.0182   -2.0764 H   0  0  0  0  0
   17.2837   -2.2176   -0.8419 H   0  0  0  0  0
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    2.0434   -1.6069   -3.5037 H   0  0  0  0  0
    1.7614   -0.6902   -5.7644 H   0  0  0  0  0
    2.7985    1.4777   -6.3805 H   0  0  0  0  0
    4.0819    2.7550   -4.6838 H   0  0  0  0  0
    4.2923    1.9119   -2.3931 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 11  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
 11 13  1  0  0  0
 11 12  2  0  0  0
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 31 32  2  0  0  0
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 32 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2431715

>  <PubChem CID>
56848369

>  <Formula>
C26H30N4O2

>  <Molecular Weight>
430.552000

>  <IUPAC Name>
cyclohexyl-[4-(2-methyl-3-phenylimidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methanone

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(N2C=C(C=CC2=N1)C(=O)N3CCN(CC3)C(=O)C4CCCCC4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC1=C(N2C=C(C=CC2=N1)C(=O)N3CCN(CC3)C(=O)C4CCCCC4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C26H30N4O2/c1-19-24(20-8-4-2-5-9-20)30-18-22(12-13-23(30)27-19)26(32)29-16-14-28(15-17-29)25(31)21-10-6-3-7-11-21/h2,4-5,8-9,12-13,18,21H,3,6-7,10-11,14-17H2,1H3

>  <InChI Key>
BQTLJTZGAMQFGS-UHFFFAOYSA-N

