
 CHEMBL3969980

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.2340   -1.2561    3.8179 C   0  0  0  0  0
    3.2388   -0.8263    2.9453 C   0  0  0  0  0
    3.0020   -0.6580    1.5700 C   0  0  0  0  0
    1.7064   -0.8870    1.1021 C   0  0  0  0  0
    0.7076   -1.3210    1.9734 C   0  0  0  0  0
    0.9599   -1.5100    3.3261 C   0  0  0  0  0
   -0.5236   -1.5493    1.4983 F   0  0  0  0  0
    4.0304   -0.1332    0.7928 N   0  0  0  0  0
    3.9617   -0.1281   -0.6654 C   0  0  0  0  0
    5.2926    0.3646   -1.2033 C   0  0  0  0  0
    6.3651   -0.4523   -1.0144 N   0  0  0  0  0
    7.5844   -0.0184   -1.4224 C   0  0  0  0  0
    7.7680    1.2290   -2.0146 C   0  0  0  0  0
    6.6651    2.0586   -2.1922 C   0  0  0  0  0
    5.4087    1.6249   -1.7814 C   0  0  0  0  0
    8.7530   -0.9675   -1.2352 C   0  0  0  0  0
    9.8406   -0.3437   -0.4792 N   0  0  0  0  0
   10.9667   -1.1035   -0.1398 C   0  0  0  0  0
   11.9055   -0.5464    0.7374 C   0  0  0  0  0
   13.0816   -1.2267    1.0473 C   0  0  0  0  0
   13.3643   -2.4642    0.4865 C   0  0  0  0  0
   12.4612   -3.0218   -0.4102 C   0  0  0  0  0
   11.2821   -2.3365   -0.7314 C   0  0  0  0  0
   13.9594   -0.6724    1.8936 F   0  0  0  0  0
    2.4494   -1.3768    4.8761 H   0  0  0  0  0
    4.2240   -0.6065    3.3523 H   0  0  0  0  0
    1.4390   -0.7386    0.0625 H   0  0  0  0  0
    0.1626   -1.8376    3.9843 H   0  0  0  0  0
    4.9514   -0.4456    1.1034 H   0  0  0  0  0
    3.1494    0.5196   -1.0145 H   0  0  0  0  0
    3.7877   -1.1398   -1.0521 H   0  0  0  0  0
    8.7574    1.5524   -2.3246 H   0  0  0  0  0
    6.7864    3.0413   -2.6398 H   0  0  0  0  0
    4.5434    2.2702   -1.8946 H   0  0  0  0  0
    9.0973   -1.2659   -2.2326 H   0  0  0  0  0
    8.3966   -1.8621   -0.7091 H   0  0  0  0  0
    9.4955    0.1937    0.3152 H   0  0  0  0  0
   11.7395    0.4294    1.1847 H   0  0  0  0  0
   14.2869   -2.9751    0.7411 H   0  0  0  0  0
   12.6721   -3.9835   -0.8711 H   0  0  0  0  0
   10.6152   -2.8011   -1.4515 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
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 22 40  1  0  0  0
 23 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3969980

>  <PubChem CID>
134154587

>  <Formula>
C19H17F2N3

>  <Molecular Weight>
325.363000

>  <IUPAC Name>
3-fluoro-N-[[6-[(3-fluoroanilino)methyl]pyridin-2-yl]methyl]aniline

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=CC(=C1)F)NCC2=NC(=CC=C2)CNC3=CC(=CC=C3)F

>  <Isomeric SMILES>
C1=CC(=CC(=C1)F)NCC2=NC(=CC=C2)CNC3=CC(=CC=C3)F

>  <InChI Std. ID>
InChI=1S/C19H17F2N3/c20-14-4-1-6-16(10-14)22-12-18-8-3-9-19(24-18)13-23-17-7-2-5-15(21)11-17/h1-11,22-23H,12-13H2

>  <InChI Key>
AEUARJKKKMRCNB-UHFFFAOYSA-N

