
 CHEMBL2153466

 62 66  0  0  0  0  0  0  0  0999 V2000
    2.1713   -0.6043    1.4846 C   0  0  0  0  0
    2.6731   -0.2231    0.0875 C   0  0  0  0  0
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   -4.7181    1.6038   -4.2845 F   0  0  0  0  0
    3.2302    1.1186    0.0967 N   0  0  0  0  0
    4.5121    1.3787    0.5568 C   0  0  0  0  0
    5.2492    0.4735    0.9560 O   0  0  0  0  0
    4.9190    2.8864    0.5644 C   0  0  0  0  0
    4.7770    3.5012    1.9539 C   0  0  0  0  0
    5.1632    2.8173    3.1148 C   0  0  0  0  0
    5.0086    3.4012    4.3790 C   0  0  0  0  0
    4.4835    4.6955    4.5332 C   0  0  0  0  0
    4.1584    5.3956    3.3586 C   0  0  0  0  0
    4.2996    4.8121    2.0926 C   0  0  0  0  0
    4.2769    5.3067    5.8649 C   0  0  0  0  0
    4.3916    6.6577    5.9199 N   0  0  0  0  0
    4.2107    7.3002    7.0761 C   0  0  0  0  0
    3.8895    6.5989    8.2530 C   0  0  0  0  0
    3.7014    7.3084    9.4480 C   0  0  0  0  0
    3.8376    8.6870    9.4477 C   0  0  0  0  0
    4.1551    9.2954    8.2508 C   0  0  0  0  0
    4.3373    8.6292    7.0888 N   0  0  0  0  0
    3.7606    5.2088    8.1996 C   0  0  0  0  0
    3.9552    4.5557    6.9906 C   0  0  0  0  0
    6.1957    3.0358    0.0915 F   0  0  0  0  0
    4.1365    3.5560   -0.3506 F   0  0  0  0  0
    2.9969   -0.6164    2.2048 H   0  0  0  0  0
    1.7156   -1.6005    1.4824 H   0  0  0  0  0
    1.4334    0.1118    1.8631 H   0  0  0  0  0
    3.4840   -0.9249   -0.1507 H   0  0  0  0  0
   -0.1295    0.0023    0.2095 H   0  0  0  0  0
   -1.7167   -0.2358   -1.6007 H   0  0  0  0  0
    1.5287   -0.8380   -4.3829 H   0  0  0  0  0
    3.1222   -0.6607   -2.5481 H   0  0  0  0  0
   -2.5689    0.8322   -3.5229 H   0  0  0  0  0
   -1.7868   -2.4479   -7.1557 H   0  0  0  0  0
   -0.1491   -2.2584   -5.3243 H   0  0  0  0  0
    2.6654    1.8918   -0.2411 H   0  0  0  0  0
    5.5944    1.8182    3.0595 H   0  0  0  0  0
    5.3281    2.8265    5.2460 H   0  0  0  0  0
    3.7835    6.4173    3.4260 H   0  0  0  0  0
    4.0362    5.3993    1.2136 H   0  0  0  0  0
    3.4507    6.7925   10.3708 H   0  0  0  0  0
    3.7005    9.2694   10.3516 H   0  0  0  0  0
    4.2767   10.3733    8.1850 H   0  0  0  0  0
    3.5049    4.6346    9.0857 H   0  0  0  0  0
    3.8336    3.4792    6.9381 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  2 20  1  0  0  0
  2  3  1  0  0  0
  2 45  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 46  1  0  0  0
  5  6  2  0  0  0
  5 47  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 48  1  0  0  0
  8 49  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 50  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
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 39 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153466

>  <PubChem CID>
71449508

>  <Formula>
C31H21F6N3O

>  <Molecular Weight>
565.519000

>  <IUPAC Name>
2,2-difluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide

>  <XlogP>
7.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C(F)(F)F)NC(=O)C(C3=CC=C(C=C3)C4=NC5=C(C=CC=N5)C=C4)(F)F

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C(F)(F)F)NC(=O)C(C3=CC=C(C=C3)C4=NC5=C(C=CC=N5)C=C4)(F)F

>  <InChI Std. ID>
InChI=1S/C31H21F6N3O/c1-18(19-4-6-20(7-5-19)23-10-14-26(32)25(17-23)31(35,36)37)39-29(41)30(33,34)24-12-8-21(9-13-24)27-15-11-22-3-2-16-38-28(22)40-27/h2-18H,1H3,(H,39,41)/t18-/m0/s1

>  <InChI Key>
KONYUECCRAYESO-SFHVURJKSA-N

