
 CHEMBL3899484

 63 66  0  0  0  0  0  0  0  0999 V2000
    4.4436    9.8283    1.5989 C   0  0  0  0  0
    5.5811    8.8970    1.6977 C   0  0  0  0  0
    5.9761    7.9809    2.6367 C   0  0  0  0  0
    7.1419    7.3849    2.0904 C   0  0  0  0  0
    7.4353    7.9202    0.8915 N   0  0  0  0  0
    6.4557    8.8739    0.6565 O   0  0  0  0  0
    7.9377    6.3157    2.7005 C   0  0  0  0  0
    7.7231    5.9804    3.8620 O   0  0  0  0  0
    8.8665    5.7490    1.8464 N   0  0  0  0  0
    9.7159    4.6544    2.1108 C   0  0  0  0  0
    9.8282    4.0479    3.3642 C   0  0  0  0  0
   10.6737    2.9525    3.5538 C   0  0  0  0  0
   11.4209    2.4527    2.4918 C   0  0  0  0  0
   11.3340    3.0470    1.2274 C   0  0  0  0  0
   10.4784    4.1501    1.0483 C   0  0  0  0  0
   12.1627    2.5123    0.0797 C   0  0  0  0  0
   11.3650    1.9623   -1.0260 N   0  0  0  0  0
   12.2055    1.6664   -2.1816 C   0  0  0  0  0
   11.3218    1.4033   -3.4048 C   0  0  0  0  0
   10.0686    0.5591   -3.0888 C   0  0  0  0  0
   10.2761   -0.1904   -1.7682 C   0  0  0  0  0
   10.5810    0.7810   -0.6130 C   0  0  0  0  0
    8.7589    1.3594   -3.0339 C   0  0  0  0  0
    7.8782    1.1377   -2.2095 O   0  0  0  0  0
    8.6016    2.2741   -4.0500 N   0  0  0  0  0
    7.4540    3.1678   -4.1356 C   0  0  0  0  0
    7.9251    4.6031   -4.4010 C   0  0  0  0  0
    8.4797    4.7888   -5.8129 C   0  0  0  0  0
    7.4940    4.3091   -6.8740 C   0  0  0  0  0
    7.0352    2.8746   -6.6262 C   0  0  0  0  0
    6.4770    2.6919   -5.2148 C   0  0  0  0  0
    4.1545   10.1934    2.5898 H   0  0  0  0  0
    3.5792    9.3223    1.1577 H   0  0  0  0  0
    4.6904   10.6943    0.9779 H   0  0  0  0  0
    5.4946    7.7425    3.5741 H   0  0  0  0  0
    8.8756    6.1329    0.9063 H   0  0  0  0  0
    9.2716    4.4012    4.2257 H   0  0  0  0  0
   10.7430    2.4902    4.5350 H   0  0  0  0  0
   12.0689    1.5954    2.6566 H   0  0  0  0  0
   10.4040    4.5943    0.0579 H   0  0  0  0  0
   12.8789    1.7631    0.4432 H   0  0  0  0  0
   12.7674    3.3548   -0.2824 H   0  0  0  0  0
   12.8637    0.8097   -1.9860 H   0  0  0  0  0
   12.8588    2.5148   -2.4207 H   0  0  0  0  0
   11.0674    2.3688   -3.8534 H   0  0  0  0  0
   11.9274    0.8738   -4.1513 H   0  0  0  0  0
    9.9283   -0.1742   -3.8945 H   0  0  0  0  0
    9.4031   -0.8028   -1.5134 H   0  0  0  0  0
   11.1162   -0.8882   -1.8853 H   0  0  0  0  0
    9.6375    1.1289   -0.1760 H   0  0  0  0  0
   11.0986    0.2065    0.1659 H   0  0  0  0  0
    9.2533    2.2620   -4.8208 H   0  0  0  0  0
    6.9361    3.1543   -3.1692 H   0  0  0  0  0
    8.6899    4.8921   -3.6696 H   0  0  0  0  0
    7.0782    5.2870   -4.2617 H   0  0  0  0  0
    8.7116    5.8472   -5.9780 H   0  0  0  0  0
    9.4250    4.2426   -5.9168 H   0  0  0  0  0
    6.6206    4.9725   -6.8818 H   0  0  0  0  0
    7.9575    4.3807   -7.8643 H   0  0  0  0  0
    6.2677    2.6036   -7.3600 H   0  0  0  0  0
    7.8766    2.1889   -6.7833 H   0  0  0  0  0
    5.5447    3.2642   -5.1273 H   0  0  0  0  0
    6.2192    1.6376   -5.0581 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  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
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 19 20  1  0  0  0
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 20 21  1  0  0  0
 20 23  1  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 26 31  1  0  0  0
 26 27  1  0  0  0
 26 53  1  0  0  0
 27 28  1  0  0  0
 27 54  1  0  0  0
 27 55  1  0  0  0
 28 29  1  0  0  0
 28 56  1  0  0  0
 28 57  1  0  0  0
 29 30  1  0  0  0
 29 58  1  0  0  0
 29 59  1  0  0  0
 30 31  1  0  0  0
 30 60  1  0  0  0
 30 61  1  0  0  0
 31 62  1  0  0  0
 31 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3899484

>  <PubChem CID>
129625938

>  <Formula>
C24H32N4O3

>  <Molecular Weight>
424.545000

>  <IUPAC Name>
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=NO1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CC1=CC(=NO1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C24H32N4O3/c1-17-14-22(27-31-17)24(30)26-21-9-5-6-18(15-21)16-28-12-10-19(11-13-28)23(29)25-20-7-3-2-4-8-20/h5-6,9,14-15,19-20H,2-4,7-8,10-13,16H2,1H3,(H,25,29)(H,26,30)

>  <InChI Key>
AIHLALPAPQQMMF-UHFFFAOYSA-N

