
 CHEMBL1802280

 40 42  0  0  0  0  0  0  0  0999 V2000
   -0.7029    1.1836    0.3345 C   0  0  0  0  0
    0.6952    1.1945    0.3368 C   0  0  0  0  0
    1.4199   -0.0055    0.3664 C   0  0  0  0  0
    0.7175   -1.2162    0.4058 C   0  0  0  0  0
   -0.6787   -1.2263    0.4077 C   0  0  0  0  0
   -1.4049   -0.0296    0.3706 C   0  0  0  0  0
   -2.9170   -0.0522    0.3272 C   0  0  0  0  0
   -3.4065   -0.0899   -1.0473 N   0  0  0  0  0
   -3.6185   -1.3545   -1.6133 C   0  0  0  0  0
   -3.4856   -2.4769   -0.8745 N   0  0  0  0  0
   -3.7274   -3.6664   -1.4779 C   0  0  0  0  0
   -4.1229   -3.7917   -2.7931 C   0  0  0  0  0
   -4.2893   -2.6440   -3.5458 C   0  0  0  0  0
   -4.0363   -1.4105   -2.9457 C   0  0  0  0  0
   -4.3484   -4.9963   -3.3318 F   0  0  0  0  0
    2.9317    0.0021    0.3137 C   0  0  0  0  0
    3.4628    0.7080    1.4743 N   0  0  0  0  0
    4.8645    0.7163    1.5422 C   0  0  0  0  0
    5.6006    0.1859    0.5421 N   0  0  0  0  0
    6.9505    0.2575    0.6423 C   0  0  0  0  0
    7.6083    0.8497    1.7020 C   0  0  0  0  0
    6.8561    1.4036    2.7214 C   0  0  0  0  0
    5.4653    1.3385    2.6390 C   0  0  0  0  0
    8.9451    0.8931    1.7422 F   0  0  0  0  0
   -1.2397    2.1297    0.3026 H   0  0  0  0  0
    1.2256    2.1455    0.3091 H   0  0  0  0  0
    1.2498   -2.1648    0.4210 H   0  0  0  0  0
   -1.2030   -2.1800    0.4247 H   0  0  0  0  0
   -3.2880    0.8748    0.7841 H   0  0  0  0  0
   -3.3205   -0.8540    0.9589 H   0  0  0  0  0
   -2.8159    0.4627   -1.6614 H   0  0  0  0  0
   -3.5908   -4.5440   -0.8557 H   0  0  0  0  0
   -4.6144   -2.7091   -4.5777 H   0  0  0  0  0
   -4.1770   -0.4954   -3.5135 H   0  0  0  0  0
    3.2374    0.4918   -0.6203 H   0  0  0  0  0
    3.2996   -1.0317    0.2911 H   0  0  0  0  0
    3.0757    0.3414    2.3383 H   0  0  0  0  0
    7.5065   -0.1838   -0.1768 H   0  0  0  0  0
    7.3453    1.8860    3.5610 H   0  0  0  0  0
    4.8547    1.7852    3.4172 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 16  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 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
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1802280

>  <PubChem CID>
49857285

>  <Formula>
C18H16F2N4

>  <Molecular Weight>
326.351000

>  <IUPAC Name>
5-fluoro-N-[[4-[[(5-fluoropyridin-2-yl)amino]methyl]phenyl]methyl]pyridin-2-amine

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=CC=C1CNC2=NC=C(C=C2)F)CNC3=NC=C(C=C3)F

>  <Isomeric SMILES>
C1=CC(=CC=C1CNC2=NC=C(C=C2)F)CNC3=NC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C18H16F2N4/c19-15-5-7-17(23-11-15)21-9-13-1-2-14(4-3-13)10-22-18-8-6-16(20)12-24-18/h1-8,11-12H,9-10H2,(H,21,23)(H,22,24)

>  <InChI Key>
CROONFRXAQIKIS-UHFFFAOYSA-N

