
 CHEMBL385057

 57 60  0  0  0  0  0  0  0  0999 V2000
    0.4387   -0.5825   -4.0803 C   0  0  0  0  0
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    5.1170    2.5444   -1.7315 C   0  0  0  0  0
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    1.9060    2.5253   -0.2199 C   0  0  0  0  0
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    1.5674    2.6679    2.1853 C   0  0  0  0  0
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    6.3832    0.5899   -0.6702 C   0  0  0  0  0
    7.4996    0.2288   -0.3112 O   0  0  0  0  0
    5.2313    0.1508   -0.0677 N   0  0  0  0  0
    5.2150   -0.7902    1.0438 C   0  0  0  0  0
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    6.4895    1.3896   -4.2660 O   0  0  0  0  0
   -0.1843    0.0057   -3.3988 H   0  0  0  0  0
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    4.9735   -1.2081   -4.8448 H   0  0  0  0  0
    2.5940   -1.7574   -5.2713 H   0  0  0  0  0
    6.5304   -0.2715   -3.0829 H   0  0  0  0  0
    7.1534    2.0297   -1.9830 H   0  0  0  0  0
    5.2115    3.2935   -2.5292 H   0  0  0  0  0
    5.2609    3.0714   -0.7797 H   0  0  0  0  0
    1.9846    3.0646   -2.3028 H   0  0  0  0  0
    3.0869    3.9274   -1.2932 H   0  0  0  0  0
    0.4662    1.2916   -1.2604 H   0  0  0  0  0
   -0.7913    0.6751    0.7676 H   0  0  0  0  0
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    1.8806    3.0632    3.1462 H   0  0  0  0  0
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    3.5933    0.2752    2.0166 H   0  0  0  0  0
    3.9354   -1.3098    2.7005 H   0  0  0  0  0
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    3.1152   -3.4531    1.3181 H   0  0  0  0  0
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    6.4811   -2.2396    0.0142 H   0  0  0  0  0
    5.8232    1.3926   -4.9747 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4 11  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
  9 36  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL385057

>  <PubChem CID>
16086884

>  <Formula>
C23H28FN3O2

>  <Molecular Weight>
397.494000

>  <IUPAC Name>
N-cyclohexyl-1-[(2-fluorophenyl)methyl]-4-hydroxy-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-3-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC2=C(C=C1)C(C(CN2CC3=CC=CC=C3F)C(=O)NC4CCCCC4)O

>  <Isomeric SMILES>
CC1=NC2=C(C=C1)C(C(CN2CC3=CC=CC=C3F)C(=O)NC4CCCCC4)O

>  <InChI Std. ID>
InChI=1S/C23H28FN3O2/c1-15-11-12-18-21(28)19(23(29)26-17-8-3-2-4-9-17)14-27(22(18)25-15)13-16-7-5-6-10-20(16)24/h5-7,10-12,17,19,21,28H,2-4,8-9,13-14H2,1H3,(H,26,29)

>  <InChI Key>
FXSJUTZQWVZGTH-UHFFFAOYSA-N

