
 CHEMBL2435916

 55 58  0  0  0  0  0  0  0  0999 V2000
   -1.5926    0.2639    0.7524 C   0  0  0  0  0
   -0.8645   -0.8473    1.1656 C   0  0  0  0  0
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    2.6953    0.1903    0.2197 C   0  0  0  0  0
    3.2320    1.3983    0.5434 N   0  0  0  0  0
    4.5650    1.5218    0.5761 C   0  0  0  0  0
    5.4221    0.4714    0.3408 C   0  0  0  0  0
    4.9069   -0.7877   -0.0169 C   0  0  0  0  0
    3.4970   -0.9128   -0.1660 C   0  0  0  0  0
    2.8452   -2.1759   -0.6949 C   0  0  0  0  0
    3.3453   -2.6461   -1.9968 N   0  0  0  0  0
    2.6229   -4.0486   -2.5996 S   0  0  0  0  0
    3.6331   -4.6784   -3.4208 O   0  0  0  0  0
    1.9689   -4.7482   -1.5216 O   0  0  0  0  0
    1.3544   -3.4286   -3.6877 C   0  0  0  0  0
    0.2292   -2.7920   -3.1509 C   0  0  0  0  0
   -0.7930   -2.3298   -3.9938 C   0  0  0  0  0
   -0.6876   -2.5582   -5.3775 C   0  0  0  0  0
    0.4190   -3.2321   -5.9232 C   0  0  0  0  0
    1.4463   -3.6583   -5.0648 C   0  0  0  0  0
    0.5044   -3.5213   -7.4054 C   0  0  0  0  0
    1.6240   -2.9979   -7.9734 F   0  0  0  0  0
    0.5338   -4.8558   -7.6700 F   0  0  0  0  0
   -0.5453   -3.0225   -8.1147 F   0  0  0  0  0
   -2.0009   -1.6084   -3.4383 C   0  0  0  0  0
   -2.1455   -0.3626   -3.9669 F   0  0  0  0  0
   -3.1618   -2.2665   -3.7054 F   0  0  0  0  0
   -1.9650   -1.4453   -2.0895 F   0  0  0  0  0
    5.8816   -1.9001   -0.1519 C   0  0  0  0  0
    7.0527   -1.7436   -0.9206 C   0  0  0  0  0
    8.0306   -2.7440   -0.9730 C   0  0  0  0  0
    7.8487   -3.9384   -0.2817 C   0  0  0  0  0
    6.6978   -4.1233    0.4770 C   0  0  0  0  0
    5.7452   -3.1073    0.5544 C   0  0  0  0  0
    4.6964   -3.3006    1.3680 F   0  0  0  0  0
   -2.6698    0.2934    0.8909 H   0  0  0  0  0
   -1.3755   -1.6882    1.6272 H   0  0  0  0  0
    1.0642   -1.7356    1.3976 H   0  0  0  0  0
    0.9499    2.1675   -0.4412 H   0  0  0  0  0
   -1.4895    2.2310   -0.1143 H   0  0  0  0  0
    4.9369    2.5076    0.8369 H   0  0  0  0  0
    6.4896    0.6350    0.4597 H   0  0  0  0  0
    1.7834   -1.9980   -0.8528 H   0  0  0  0  0
    2.9287   -2.9610    0.0595 H   0  0  0  0  0
    4.3565   -2.6907   -2.1154 H   0  0  0  0  0
    0.1317   -2.6628   -2.0748 H   0  0  0  0  0
   -1.4892   -2.2150   -6.0352 H   0  0  0  0  0
    2.3053   -4.1884   -5.4776 H   0  0  0  0  0
    7.2314   -0.8203   -1.4689 H   0  0  0  0  0
    8.9415   -2.5838   -1.5474 H   0  0  0  0  0
    8.6070   -4.7162   -0.3224 H   0  0  0  0  0
    6.5429   -5.0443    1.0316 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 40  1  0  0  0
  3  4  2  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 42  1  0  0  0
  6 43  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 44  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
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 13 47  1  0  0  0
 14 15  1  0  0  0
 14 48  1  0  0  0
 15 18  1  0  0  0
 15 17  2  0  0  0
 15 16  2  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 28  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 22 23  2  0  0  0
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 24 27  1  0  0  0
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 24 25  1  0  0  0
 28 31  1  0  0  0
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 28 29  1  0  0  0
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 34 35  2  0  0  0
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 36 55  1  0  0  0
 37 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2435916

>  <PubChem CID>
73353939

>  <Formula>
C26H17F7N2O2S

>  <Molecular Weight>
554.483000

>  <IUPAC Name>
N-[[4-(2-fluorophenyl)-2-phenylpyridin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=NC=CC(=C2CNS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4F

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=NC=CC(=C2CNS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C26H17F7N2O2S/c27-23-9-5-4-8-21(23)20-10-11-34-24(16-6-2-1-3-7-16)22(20)15-35-38(36,37)19-13-17(25(28,29)30)12-18(14-19)26(31,32)33/h1-14,35H,15H2

>  <InChI Key>
AXLREWOYOXGTNE-UHFFFAOYSA-N

