
 CHEMBL1782077

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.2402    1.5218    0.1540 C   0  0  0  0  0
    2.5152    0.7546   -0.2130 C   0  0  0  0  0
    2.4537   -0.8222   -0.1324 C   0  0  0  0  0
    2.9581   -0.9885    1.2305 N   0  0  0  0  0
    3.6847    0.1248    1.5850 C   0  0  0  0  0
    3.5612    1.1620    0.7885 N   0  0  0  0  0
    4.5568    0.1525    2.7969 C   0  0  0  0  0
    5.6169    0.9742    2.8338 C   0  0  0  0  0
    6.4639    1.0137    3.9340 N   0  0  0  0  0
    6.2652    0.2121    5.0573 C   0  0  0  0  0
    6.9827    0.1922    6.0526 O   0  0  0  0  0
    5.0753   -0.6833    5.0109 C   0  0  0  0  0
    4.2817   -0.7029    3.9317 C   0  0  0  0  0
    7.6099    1.9071    3.8949 C   0  0  0  0  0
    1.0195   -1.3686   -0.2438 C   0  0  0  0  0
    0.4378   -1.6143   -1.5049 C   0  0  0  0  0
   -0.8693   -2.0996   -1.6095 C   0  0  0  0  0
   -1.6167   -2.3211   -0.4603 C   0  0  0  0  0
   -1.0834   -2.0680    0.7943 C   0  0  0  0  0
    0.2265   -1.5970    0.9021 C   0  0  0  0  0
   -2.8710   -2.7779   -0.5647 F   0  0  0  0  0
    3.4546   -1.5667   -1.0428 C   0  0  0  0  0
    4.4415   -0.9166   -1.7879 C   0  0  0  0  0
    5.3321   -1.5345   -2.6007 N   0  0  0  0  0
    5.2693   -2.8768   -2.6633 C   0  0  0  0  0
    4.3648   -3.6339   -1.9461 C   0  0  0  0  0
    3.4540   -2.9731   -1.1246 C   0  0  0  0  0
    6.1409   -3.5050   -3.4642 F   0  0  0  0  0
    0.4347    1.3242   -0.5592 H   0  0  0  0  0
    1.4332    2.6005    0.1379 H   0  0  0  0  0
    0.8903    1.2769    1.1629 H   0  0  0  0  0
    2.8080    1.0989   -1.2094 H   0  0  0  0  0
    3.3690   -1.8872    1.4505 H   0  0  0  0  0
    5.8602    1.6343    2.0038 H   0  0  0  0  0
    4.8946   -1.2926    5.8861 H   0  0  0  0  0
    3.4031   -1.3363    3.9111 H   0  0  0  0  0
    7.2677    2.9243    3.6812 H   0  0  0  0  0
    8.2893    1.5740    3.1044 H   0  0  0  0  0
    8.1529    1.9127    4.8439 H   0  0  0  0  0
    0.9981   -1.4362   -2.4213 H   0  0  0  0  0
   -1.3104   -2.3006   -2.5808 H   0  0  0  0  0
   -1.6892   -2.2298    1.6800 H   0  0  0  0  0
    0.6139   -1.3852    1.8975 H   0  0  0  0  0
    4.5836    0.1604   -1.7588 H   0  0  0  0  0
    4.3743   -4.7136   -2.0329 H   0  0  0  0  0
    2.7374   -3.5635   -0.5566 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7  8  2  0  0  0
  7 13  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 36  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 43  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 45  1  0  0  0
 27 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1782077

>  <PubChem CID>
10045322

>  <Formula>
C21H18F2N4O

>  <Molecular Weight>
380.399000

>  <IUPAC Name>
5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoropyridin-3-yl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1C(NC(=N1)C2=CN(C(=O)C=C2)C)(C3=CC=C(C=C3)F)C4=CN=C(C=C4)F

>  <Isomeric SMILES>
C[C@H]1[C@](NC(=N1)C2=CN(C(=O)C=C2)C)(C3=CC=C(C=C3)F)C4=CN=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C21H18F2N4O/c1-13-21(15-4-7-17(22)8-5-15,16-6-9-18(23)24-11-16)26-20(25-13)14-3-10-19(28)27(2)12-14/h3-13H,1-2H3,(H,25,26)/t13-,21-/m0/s1

>  <InChI Key>
BDYBUJFDECYUHB-ZSEKCTLFSA-N

