
 CHEMBL216382

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.5662   -1.4847   -4.7213 C   0  0  0  0  0
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    2.6677   -2.4103   -3.6425 C   0  0  0  0  0
    4.9722   -0.3962   -2.9584 N   0  0  0  0  0
    5.9212    0.5706   -2.7343 C   0  0  0  0  0
    5.6474    1.7070   -2.3574 O   0  0  0  0  0
    7.3313    0.1473   -2.9742 C   0  0  0  0  0
    8.3203    1.0233   -2.7326 C   0  0  0  0  0
    9.6762    0.7911   -2.8964 N   0  0  0  0  0
   10.1248   -0.4761   -3.3297 C   0  0  0  0  0
    9.1861   -1.4760   -3.6019 C   0  0  0  0  0
    7.7403   -1.1937   -3.4619 C   0  0  0  0  0
    6.9114   -2.0559   -3.7483 O   0  0  0  0  0
    9.6157   -2.7435   -4.0022 C   0  0  0  0  0
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   11.8631   -1.9565   -3.8554 C   0  0  0  0  0
   11.4509   -0.7212   -3.4746 N   0  0  0  0  0
   13.3452   -2.1783   -3.9159 C   0  0  0  0  0
   10.7110    1.7909   -2.5981 C   0  0  0  0  0
   11.1879    1.7130   -1.1591 C   0  0  0  0  0
   12.3104    0.9366   -0.8231 C   0  0  0  0  0
   12.7540    0.8596    0.4987 C   0  0  0  0  0
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   10.9681    2.3374    1.1805 C   0  0  0  0  0
   10.5183    2.4103   -0.1406 C   0  0  0  0  0
   12.5086    1.4934    2.7540 F   0  0  0  0  0
    0.0313   -2.4194   -4.5218 H   0  0  0  0  0
    0.1470   -1.0522   -5.6360 H   0  0  0  0  0
    0.3519   -0.7966   -3.8983 H   0  0  0  0  0
    2.1712   -2.4510   -5.7267 H   0  0  0  0  0
    2.3501    0.0358   -6.0913 H   0  0  0  0  0
    3.8403   -0.7462   -5.5894 H   0  0  0  0  0
    3.5739    1.3575   -4.3820 H   0  0  0  0  0
    1.9675    0.9072   -3.8368 H   0  0  0  0  0
    3.4234    0.5485   -1.9807 H   0  0  0  0  0
    3.3196   -1.9632   -1.6379 H   0  0  0  0  0
    1.8037   -1.1976   -2.0870 H   0  0  0  0  0
    3.6583   -2.8079   -3.8977 H   0  0  0  0  0
    2.0609   -3.2733   -3.3426 H   0  0  0  0  0
    5.2838   -1.2862   -3.3494 H   0  0  0  0  0
    8.0935    2.0248   -2.3708 H   0  0  0  0  0
    8.8976   -3.5323   -4.2101 H   0  0  0  0  0
   11.3322   -3.9755   -4.4084 H   0  0  0  0  0
   13.5950   -3.0634   -4.5073 H   0  0  0  0  0
   13.7384   -2.3088   -2.9040 H   0  0  0  0  0
   13.8357   -1.3158   -4.3768 H   0  0  0  0  0
   10.3079    2.7978   -2.7739 H   0  0  0  0  0
   11.5639    1.7258   -3.2862 H   0  0  0  0  0
   12.8441    0.3828   -1.5926 H   0  0  0  0  0
   13.6178    0.2558    0.7577 H   0  0  0  0  0
   10.4583    2.8785    1.9708 H   0  0  0  0  0
    9.6446    3.0161   -0.3689 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  7  1  0  0  0
  2  3  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 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 44  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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 13 14  1  0  0  0
 13 23  1  0  0  0
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 29 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL216382

>  <PubChem CID>
16086904

>  <Formula>
C24H26FN3O2

>  <Molecular Weight>
407.489000

>  <IUPAC Name>
1-[(4-fluorophenyl)methyl]-7-methyl-N-(4-methylcyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCC(CC1)NC(=O)C2=CN(C3=C(C2=O)C=CC(=N3)C)CC4=CC=C(C=C4)F

>  <Isomeric SMILES>
CC1CCC(CC1)NC(=O)C2=CN(C3=C(C2=O)C=CC(=N3)C)CC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C24H26FN3O2/c1-15-3-10-19(11-4-15)27-24(30)21-14-28(13-17-6-8-18(25)9-7-17)23-20(22(21)29)12-5-16(2)26-23/h5-9,12,14-15,19H,3-4,10-11,13H2,1-2H3,(H,27,30)

>  <InChI Key>
CGYMBFMWBIJXCU-UHFFFAOYSA-N

