
 CHEMBL217583

 50 53  0  0  0  0  0  0  0  0999 V2000
   -3.4500   -4.4125    0.5373 C   0  0  0  0  0
   -2.8813   -4.8671    1.8776 C   0  0  0  0  0
   -1.3546   -4.8088    1.8917 C   0  0  0  0  0
   -0.8019   -3.4333    1.4848 C   0  0  0  0  0
   -1.4212   -2.9542    0.1652 C   0  0  0  0  0
   -2.9488   -3.0230    0.1615 C   0  0  0  0  0
   -0.9956   -2.4410    2.5342 N   0  0  0  0  0
   -0.1959   -2.3675    3.6475 C   0  0  0  0  0
    0.7615   -3.1086    3.8433 O   0  0  0  0  0
   -0.5978   -1.3322    4.6446 C   0  0  0  0  0
   -0.0704   -1.3927    5.8762 C   0  0  0  0  0
   -0.3773   -0.5596    6.9406 N   0  0  0  0  0
   -1.3040    0.4922    6.7660 C   0  0  0  0  0
   -1.8974    0.6753    5.5085 C   0  0  0  0  0
   -1.5895   -0.2581    4.3991 C   0  0  0  0  0
   -2.1712   -0.1469    3.3236 O   0  0  0  0  0
   -2.8121    1.7162    5.3107 C   0  0  0  0  0
   -3.1274    2.5482    6.3759 C   0  0  0  0  0
   -2.5130    2.2938    7.5868 C   0  0  0  0  0
   -1.6230    1.3010    7.8053 N   0  0  0  0  0
   -2.8535    3.2519    8.9667 Cl  0  0  0  0  0
    0.1491   -0.7634    8.2977 C   0  0  0  0  0
    1.4594   -0.0369    8.5219 C   0  0  0  0  0
    1.4729    1.2404    9.1067 C   0  0  0  0  0
    2.6791    1.9044    9.3344 C   0  0  0  0  0
    3.8748    1.2944    8.9752 C   0  0  0  0  0
    3.8869    0.0346    8.3885 C   0  0  0  0  0
    2.6805   -0.6306    8.1592 C   0  0  0  0  0
    5.0330    1.9295    9.1981 F   0  0  0  0  0
   -3.1621   -5.1280   -0.2430 H   0  0  0  0  0
   -4.5443   -4.4120    0.5805 H   0  0  0  0  0
   -3.2105   -5.8915    2.0845 H   0  0  0  0  0
   -3.2843   -4.2361    2.6800 H   0  0  0  0  0
   -0.9925   -5.0951    2.8863 H   0  0  0  0  0
   -0.9725   -5.5611    1.1902 H   0  0  0  0  0
    0.2808   -3.5311    1.3430 H   0  0  0  0  0
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   -1.0417   -3.5822   -0.6511 H   0  0  0  0  0
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   -3.3238   -2.7544   -0.8332 H   0  0  0  0  0
   -1.7690   -1.7824    2.4541 H   0  0  0  0  0
    0.6529   -2.1667    6.1280 H   0  0  0  0  0
   -3.2773    1.8699    4.3406 H   0  0  0  0  0
   -3.8356    3.3607    6.2624 H   0  0  0  0  0
    0.3167   -1.8369    8.4657 H   0  0  0  0  0
   -0.5758   -0.4896    9.0758 H   0  0  0  0  0
    0.5398    1.7235    9.3921 H   0  0  0  0  0
    2.6929    2.8888    9.7899 H   0  0  0  0  0
    4.8326   -0.4213    8.1162 H   0  0  0  0  0
    2.7005   -1.6170    7.7015 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  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 42  1  0  0  0
 12 13  1  0  0  0
 12 22  1  0  0  0
 13 14  2  0  0  0
 13 20  1  0  0  0
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 14 17  1  0  0  0
 15 16  2  0  0  0
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 19 21  1  0  0  0
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 22 46  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 48  1  0  0  0
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 28 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL217583

>  <PubChem CID>
16086907

>  <Formula>
C22H21ClFN3O2

>  <Molecular Weight>
413.877000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C22H21ClFN3O2/c23-19-11-10-17-20(28)18(22(29)25-16-4-2-1-3-5-16)13-27(21(17)26-19)12-14-6-8-15(24)9-7-14/h6-11,13,16H,1-5,12H2,(H,25,29)

>  <InChI Key>
DQKYSIYORZUPAL-UHFFFAOYSA-N

