
 CHEMBL1784130

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.3706    1.4994    0.1680 C   0  0  0  0  0
    2.4736    0.5212   -0.2566 C   0  0  0  0  0
    2.2881   -0.9899    0.1654 C   0  0  0  0  0
    3.0292   -0.9502    1.4269 N   0  0  0  0  0
    3.9091    0.1106    1.4088 C   0  0  0  0  0
    3.7213    0.9801    0.4422 N   0  0  0  0  0
    5.0246    0.2663    2.4009 C   0  0  0  0  0
    5.8477    1.3251    2.3067 C   0  0  0  0  0
    6.8895    1.5102    3.2046 N   0  0  0  0  0
    7.1222    0.6565    4.2663 C   0  0  0  0  0
    8.0154    0.7937    5.0961 O   0  0  0  0  0
    6.2041   -0.5078    4.3759 C   0  0  0  0  0
    5.2149   -0.6750    3.4859 C   0  0  0  0  0
    7.7069    2.6933    3.1364 C   0  0  0  0  0
    7.8754    3.0845    1.8454 F   0  0  0  0  0
    7.0716    3.7159    3.7662 F   0  0  0  0  0
    0.8159   -1.3713    0.3822 C   0  0  0  0  0
    0.3003   -1.6899    1.6550 C   0  0  0  0  0
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   -0.0611   -1.4272   -0.7221 C   0  0  0  0  0
   -3.1615   -2.4364    0.8698 F   0  0  0  0  0
    3.0151   -2.0244   -0.7183 C   0  0  0  0  0
    2.8306   -3.3946   -0.4889 C   0  0  0  0  0
    3.4491   -4.3891   -1.1657 N   0  0  0  0  0
    4.3016   -4.0148   -2.1366 C   0  0  0  0  0
    4.5725   -2.6978   -2.4520 C   0  0  0  0  0
    3.9310   -1.6929   -1.7270 C   0  0  0  0  0
    4.9275   -4.9814   -2.8220 F   0  0  0  0  0
    0.4410    1.3215   -0.3795 H   0  0  0  0  0
    1.6783    2.5299   -0.0448 H   0  0  0  0  0
    1.1647    1.4398    1.2419 H   0  0  0  0  0
    2.6011    0.6279   -1.3386 H   0  0  0  0  0
    3.3967   -1.8362    1.7469 H   0  0  0  0  0
    5.7340    2.0788    1.5303 H   0  0  0  0  0
    6.3686   -1.1821    5.2059 H   0  0  0  0  0
    4.5355   -1.5108    3.5961 H   0  0  0  0  0
    8.6927    2.5553    3.5901 H   0  0  0  0  0
    0.9314   -1.6531    2.5405 H   0  0  0  0  0
   -1.4321   -2.2984    2.7981 H   0  0  0  0  0
   -2.0774   -1.8176   -1.4042 H   0  0  0  0  0
    0.2937   -1.1893   -1.7240 H   0  0  0  0  0
    2.1591   -3.7550    0.2885 H   0  0  0  0  0
    5.2796   -2.4645   -3.2393 H   0  0  0  0  0
    4.1825   -0.6610   -1.9588 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
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  2  6  1  0  0  0
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  3  4  1  0  0  0
  3 24  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1784130

>  <PubChem CID>
10047509

>  <Formula>
C21H16F4N4O

>  <Molecular Weight>
416.380000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

>  <InChI Std. ID>
InChI=1S/C21H16F4N4O/c1-12-21(14-3-6-16(22)7-4-14,15-5-8-17(23)26-10-15)28-19(27-12)13-2-9-18(30)29(11-13)20(24)25/h2-12,20H,1H3,(H,27,28)/t12-,21-/m0/s1

>  <InChI Key>
MUTOQFPGGSSVLM-QKVFXAPYSA-N

