
 CHEMBL1099114

 41 44  0  0  0  0  0  0  0  0999 V2000
    1.9161   -1.2592    1.3302 C   0  0  0  0  0
    3.3622   -1.0231    1.0116 C   0  0  0  0  0
    3.7618    0.2632    0.8668 N   0  0  0  0  0
    5.0516    0.5113    0.5769 C   0  0  0  0  0
    5.9984   -0.5177    0.4240 C   0  0  0  0  0
    5.5678   -1.8385    0.5949 C   0  0  0  0  0
    4.2348   -2.0961    0.8945 C   0  0  0  0  0
    7.3283   -0.2075    0.1066 C   0  0  0  0  0
    7.7196    1.1223   -0.0629 C   0  0  0  0  0
    6.8013    2.1711    0.0927 C   0  0  0  0  0
    5.4746    1.8266    0.4179 C   0  0  0  0  0
    7.2083    3.5817   -0.0857 C   0  0  0  0  0
    6.3864    4.5022   -0.7570 C   0  0  0  0  0
    6.7681    5.8468   -0.9390 C   0  0  0  0  0
    8.0058    6.3117   -0.4522 C   0  0  0  0  0
    8.8242    5.3892    0.2233 C   0  0  0  0  0
    8.4327    4.0567    0.4049 C   0  0  0  0  0
    8.4823    7.6991   -0.6286 C   0  0  0  0  0
    9.6982    7.9553   -1.2915 C   0  0  0  0  0
   10.1681    9.2606   -1.4546 C   0  0  0  0  0
    9.4242   10.3224   -0.9598 C   0  0  0  0  0
    8.2230   10.1026   -0.2994 C   0  0  0  0  0
    7.7574    8.7959   -0.1281 C   0  0  0  0  0
    9.8740   11.5738   -1.1172 F   0  0  0  0  0
    5.8605    6.7054   -1.6487 C   0  0  0  0  0
    5.1007    7.3864   -2.2036 N   0  0  0  0  0
    1.4919   -2.0040    0.6492 H   0  0  0  0  0
    1.3388   -0.3355    1.2207 H   0  0  0  0  0
    1.8113   -1.6122    2.3605 H   0  0  0  0  0
    6.2623   -2.6681    0.4935 H   0  0  0  0  0
    3.8879   -3.1156    1.0269 H   0  0  0  0  0
    8.0649   -0.9974   -0.0201 H   0  0  0  0  0
    8.7540    1.3267   -0.3328 H   0  0  0  0  0
    4.7292    2.6065    0.5635 H   0  0  0  0  0
    5.4308    4.1700   -1.1650 H   0  0  0  0  0
    9.7843    5.7067    0.6291 H   0  0  0  0  0
    9.1021    3.3936    0.9514 H   0  0  0  0  0
   10.2872    7.1332   -1.6944 H   0  0  0  0  0
   11.1051    9.4530   -1.9668 H   0  0  0  0  0
    7.6548   10.9470    0.0774 H   0  0  0  0  0
    6.8187    8.6450    0.4022 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1099114

>  <PubChem CID>
46888046

>  <Formula>
C23H15FN2

>  <Molecular Weight>
338.385000

>  <IUPAC Name>
2-(4-fluorophenyl)-5-(2-methylquinolin-7-yl)benzonitrile

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC2=C(C=C1)C=CC(=C2)C3=CC(=C(C=C3)C4=CC=C(C=C4)F)C#N

>  <Isomeric SMILES>
CC1=NC2=C(C=C1)C=CC(=C2)C3=CC(=C(C=C3)C4=CC=C(C=C4)F)C#N

>  <InChI Std. ID>
InChI=1S/C23H15FN2/c1-15-2-3-17-4-5-19(13-23(17)26-15)18-8-11-22(20(12-18)14-25)16-6-9-21(24)10-7-16/h2-13H,1H3

>  <InChI Key>
PQZMWEWZHYNTAZ-UHFFFAOYSA-N

