
 CHEMBL386725

 50 53  0  0  0  0  0  0  0  0999 V2000
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    0.6331   -0.4873   -0.2679 C   0  0  0  0  0
   -0.6738    0.2647   -0.5158 C   0  0  0  0  0
    0.1797   -1.5696    1.9018 N   0  0  0  0  0
    0.4959   -2.4866    2.8718 C   0  0  0  0  0
    1.0256   -3.5676    2.6210 O   0  0  0  0  0
    0.1656   -2.0958    4.2708 C   0  0  0  0  0
    0.4781   -2.9418    5.2656 C   0  0  0  0  0
    0.2487   -2.7390    6.6164 N   0  0  0  0  0
   -0.3448   -1.5351    7.0561 C   0  0  0  0  0
   -0.7048   -0.5679    6.1067 C   0  0  0  0  0
   -0.4827   -0.8222    4.6648 C   0  0  0  0  0
   -0.8365    0.0068    3.8304 O   0  0  0  0  0
   -1.2800    0.6386    6.5227 C   0  0  0  0  0
   -1.4846    0.8567    7.8782 C   0  0  0  0  0
   -1.1144   -0.1493    8.7488 C   0  0  0  0  0
   -0.5672   -1.3248    8.3749 N   0  0  0  0  0
   -1.3214    0.0272   10.4412 Cl  0  0  0  0  0
    0.6422   -3.7038    7.6548 C   0  0  0  0  0
    2.0551   -3.4698    8.1509 C   0  0  0  0  0
    3.1533   -4.0445    7.4932 C   0  0  0  0  0
    4.4518   -3.8343    7.9631 C   0  0  0  0  0
    4.6693   -3.0421    9.0888 C   0  0  0  0  0
    3.5891   -2.4590    9.7466 C   0  0  0  0  0
    2.2907   -2.6728    9.2816 C   0  0  0  0  0
   -1.3684   -0.8871   -2.1997 H   0  0  0  0  0
   -2.6513   -0.0707   -1.3102 H   0  0  0  0  0
   -2.6730   -2.5327   -0.9243 H   0  0  0  0  0
   -2.4217   -1.6394    0.5728 H   0  0  0  0  0
   -0.8766   -3.5491    0.4667 H   0  0  0  0  0
   -0.3011   -3.0426   -1.1170 H   0  0  0  0  0
    1.3773   -2.3716    0.4302 H   0  0  0  0  0
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   -1.9197    1.7820    8.2383 H   0  0  0  0  0
    0.5830   -4.7229    7.2467 H   0  0  0  0  0
   -0.0605   -3.7187    8.4984 H   0  0  0  0  0
    3.0052   -4.6656    6.6127 H   0  0  0  0  0
    5.2952   -4.2896    7.4501 H   0  0  0  0  0
    5.6799   -2.8784    9.4531 H   0  0  0  0  0
    3.7549   -1.8382   10.6232 H   0  0  0  0  0
    1.4588   -2.2125    9.8112 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12 22  1  0  0  0
 13 14  2  0  0  0
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 14 15  1  0  0  0
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 19 21  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
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 28 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL386725

>  <PubChem CID>
16086900

>  <Formula>
C22H22ClN3O2

>  <Molecular Weight>
395.887000

>  <IUPAC Name>
1-benzyl-7-chloro-N-cyclohexyl-4-oxo-1,8-naphthyridine-3-carboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)C2=CN(C3=C(C2=O)C=CC(=N3)Cl)CC4=CC=CC=C4

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)C2=CN(C3=C(C2=O)C=CC(=N3)Cl)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H22ClN3O2/c23-19-12-11-17-20(27)18(22(28)24-16-9-5-2-6-10-16)14-26(21(17)25-19)13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,14,16H,2,5-6,9-10,13H2,(H,24,28)

>  <InChI Key>
GXUDVWWCSLVPHY-UHFFFAOYSA-N

