
 CHEMBL386489

 50 53  0  0  0  0  0  0  0  0999 V2000
    0.0721    1.2583   -0.7015 C   0  0  0  0  0
   -1.2558    0.6782   -0.2256 C   0  0  0  0  0
   -1.3114   -0.8392   -0.4090 C   0  0  0  0  0
   -0.1152   -1.5616    0.2256 C   0  0  0  0  0
    1.2107   -0.9537   -0.2506 C   0  0  0  0  0
    1.2635    0.5611   -0.0516 C   0  0  0  0  0
   -0.2140   -1.5334    1.6780 N   0  0  0  0  0
    0.3383   -2.4880    2.4952 C   0  0  0  0  0
    0.8925   -3.5000    2.0762 O   0  0  0  0  0
    0.1987   -2.2151    3.9566 C   0  0  0  0  0
    0.5606   -3.1656    4.8324 C   0  0  0  0  0
    0.4593   -3.0879    6.2125 N   0  0  0  0  0
   -0.0517   -1.9167    6.8162 C   0  0  0  0  0
   -0.4553   -0.8511    6.0018 C   0  0  0  0  0
   -0.3541   -0.9621    4.5310 C   0  0  0  0  0
   -0.7295   -0.0356    3.8148 O   0  0  0  0  0
   -0.9751    0.3132    6.5777 C   0  0  0  0  0
   -1.0757    0.3974    7.9585 C   0  0  0  0  0
   -0.6565   -0.6889    8.7029 C   0  0  0  0  0
   -0.1599   -1.8283    8.1658 N   0  0  0  0  0
    0.7372   -4.2208    7.1038 C   0  0  0  0  0
    2.1936   -4.2944    7.5167 C   0  0  0  0  0
    3.1212   -5.0207    6.7509 C   0  0  0  0  0
    4.4517   -5.1242    7.1626 C   0  0  0  0  0
    4.8592   -4.4967    8.3334 C   0  0  0  0  0
    3.9637   -3.7598    9.0976 C   0  0  0  0  0
    2.6332   -3.6559    8.6885 C   0  0  0  0  0
    6.1330   -4.6071    8.7330 F   0  0  0  0  0
    0.1420    1.1576   -1.7916 H   0  0  0  0  0
    0.1063    2.3307   -0.4784 H   0  0  0  0  0
   -2.0789    1.1438   -0.7799 H   0  0  0  0  0
   -1.4079    0.9328    0.8300 H   0  0  0  0  0
   -2.2507   -1.2203    0.0097 H   0  0  0  0  0
   -1.3299   -1.0611   -1.4837 H   0  0  0  0  0
   -0.1419   -2.6147   -0.0803 H   0  0  0  0  0
    2.0566   -1.4178    0.2698 H   0  0  0  0  0
    1.3373   -1.1725   -1.3187 H   0  0  0  0  0
    1.2846    0.7933    1.0201 H   0  0  0  0  0
    2.1936    0.9535   -0.4784 H   0  0  0  0  0
   -0.5615   -0.6817    2.1213 H   0  0  0  0  0
    0.9625   -4.1142    4.4804 H   0  0  0  0  0
   -1.2997    1.1430    5.9545 H   0  0  0  0  0
   -1.4716    1.2848    8.4399 H   0  0  0  0  0
   -0.7104   -0.6757    9.7884 H   0  0  0  0  0
    0.4760   -5.1569    6.5899 H   0  0  0  0  0
    0.0949   -4.2293    7.9944 H   0  0  0  0  0
    2.8108   -5.5198    5.8355 H   0  0  0  0  0
    5.1700   -5.6932    6.5811 H   0  0  0  0  0
    4.3036   -3.2755   10.0072 H   0  0  0  0  0
    1.9348   -3.0803    9.2930 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 21  1  0  0  0
 13 14  2  0  0  0
 13 20  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 49  1  0  0  0
 27 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL386489

>  <PubChem CID>
16086903

>  <Formula>
C22H22FN3O2

>  <Molecular Weight>
379.435000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C22H22FN3O2/c23-16-10-8-15(9-11-16)13-26-14-19(20(27)18-7-4-12-24-21(18)26)22(28)25-17-5-2-1-3-6-17/h4,7-12,14,17H,1-3,5-6,13H2,(H,25,28)

>  <InChI Key>
DTANHKNKNMZFOK-UHFFFAOYSA-N

