
 CHEMBL217549

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.8276   -2.1231   -1.1835 C   0  0  0  0  0
    2.2876   -2.4505   -1.5142 C   0  0  0  0  0
    2.6391   -2.0813   -2.9606 C   0  0  0  0  0
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    3.6605    0.1317   -2.1948 C   0  0  0  0  0
    3.3668   -0.2635   -0.7406 C   0  0  0  0  0
    3.2614   -1.7764   -0.5384 C   0  0  0  0  0
    5.0583   -0.1062   -2.5387 N   0  0  0  0  0
    6.0335    0.8403   -2.3425 C   0  0  0  0  0
    5.7955    1.9598   -1.8979 O   0  0  0  0  0
    7.4202    0.4295   -2.7060 C   0  0  0  0  0
    8.3948    1.3514   -2.6420 C   0  0  0  0  0
    9.7365    1.1419   -2.9151 N   0  0  0  0  0
   10.1886   -0.1475   -3.2633 C   0  0  0  0  0
    9.2612   -1.1866   -3.3913 C   0  0  0  0  0
    7.8237   -0.9318   -3.1346 C   0  0  0  0  0
    6.9999   -1.8385   -3.2669 O   0  0  0  0  0
    9.7012   -2.4635   -3.7495 C   0  0  0  0  0
   11.0584   -2.6800   -3.9627 C   0  0  0  0  0
   11.9302   -1.6097   -3.8228 C   0  0  0  0  0
   11.5092   -0.3702   -3.4745 N   0  0  0  0  0
   13.4083   -1.7882   -3.9967 C   0  0  0  0  0
   10.7532    2.2010   -2.8087 C   0  0  0  0  0
   10.8535    3.0362   -4.0657 C   0  0  0  0  0
   11.2248    2.4756   -5.2983 C   0  0  0  0  0
   11.3560    3.2741   -6.4383 C   0  0  0  0  0
   11.1279    4.6464   -6.3612 C   0  0  0  0  0
   10.7680    5.2192   -5.1436 C   0  0  0  0  0
   10.6355    4.4154   -4.0127 C   0  0  0  0  0
   10.3050    4.9978   -2.8507 F   0  0  0  0  0
    0.5793   -2.4541   -0.1700 H   0  0  0  0  0
    0.1521   -2.6379   -1.8752 H   0  0  0  0  0
    0.6135   -1.0522   -1.2454 H   0  0  0  0  0
    2.4006   -3.5372   -1.4070 H   0  0  0  0  0
    1.9013   -2.5099   -3.6494 H   0  0  0  0  0
    3.6023   -2.5387   -3.2190 H   0  0  0  0  0
    3.0522   -0.3783   -4.2142 H   0  0  0  0  0
    1.7224   -0.1389   -3.0930 H   0  0  0  0  0
    3.4895    1.2117   -2.2868 H   0  0  0  0  0
    4.1390    0.1348   -0.0717 H   0  0  0  0  0
    2.4229    0.2019   -0.4320 H   0  0  0  0  0
    4.2561   -2.2217   -0.6670 H   0  0  0  0  0
    2.9613   -1.9853    0.4957 H   0  0  0  0  0
    5.3482   -1.0407   -2.8300 H   0  0  0  0  0
    8.1726    2.3761   -2.3454 H   0  0  0  0  0
    8.9949   -3.2829   -3.8541 H   0  0  0  0  0
   11.4206   -3.6677   -4.2306 H   0  0  0  0  0
   13.6363   -2.6453   -4.6377 H   0  0  0  0  0
   13.8797   -1.9399   -3.0206 H   0  0  0  0  0
   13.8439   -0.8976   -4.4617 H   0  0  0  0  0
   11.7500    1.8182   -2.5541 H   0  0  0  0  0
   10.4902    2.8417   -1.9568 H   0  0  0  0  0
   11.4253    1.4100   -5.3808 H   0  0  0  0  0
   11.6429    2.8218   -7.3846 H   0  0  0  0  0
   11.2355    5.2678   -7.2468 H   0  0  0  0  0
   10.5946    6.2874   -5.0645 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
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
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 13 14  1  0  0  0
 13 23  1  0  0  0
 14 15  2  0  0  0
 14 21  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
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 24 29  1  0  0  0
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 29 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL217549

>  <PubChem CID>
16086898

>  <Formula>
C24H26FN3O2

>  <Molecular Weight>
407.489000

>  <IUPAC Name>
1-[(2-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=CC=C4F

>  <Isomeric SMILES>
CC1CCC(CC1)NC(=O)C2=CN(C3=C(C2=O)C=CC(=N3)C)CC4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C24H26FN3O2/c1-15-7-10-18(11-8-15)27-24(30)20-14-28(13-17-5-3-4-6-21(17)25)23-19(22(20)29)12-9-16(2)26-23/h3-6,9,12,14-15,18H,7-8,10-11,13H2,1-2H3,(H,27,30)

>  <InChI Key>
CSWGVXSESQPWML-UHFFFAOYSA-N

