
 CHEMBL2315056

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.9032   -2.4158    1.0958 C   0  0  0  0  0
    1.8954   -2.2412    2.4727 C   0  0  0  0  0
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    5.0353    0.4896   -3.0367 C   0  0  0  0  0
    6.2900    0.7204   -2.4673 C   0  0  0  0  0
    6.3879    1.0771   -1.1259 C   0  0  0  0  0
    5.2412    1.1980   -0.3434 C   0  0  0  0  0
    7.9342    1.3686   -0.4320 Cl  0  0  0  0  0
    2.6099    0.4215   -2.7456 O   0  0  0  0  0
    2.4221    0.5247   -4.1566 C   0  0  0  0  0
    0.9447    0.6763   -4.3956 C   0  0  0  0  0
    0.1708   -0.4144   -4.8004 C   0  0  0  0  0
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    0.3090    1.9068   -4.1718 C   0  0  0  0  0
   -3.5119    1.0918   -5.0184 Cl  0  0  0  0  0
    0.7518   -1.6049   -5.0059 F   0  0  0  0  0
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    3.7133    0.7194    6.8609 O   0  0  0  0  0
    2.1212    2.5743    6.2971 O   0  0  0  0  0
    1.0805    0.3968    7.2215 C   0  0  0  0  0
    1.2314   -0.4937    8.2874 C   0  0  0  0  0
    0.0884   -1.0848    8.8489 C   0  0  0  0  0
   -1.1869   -0.7863    8.3642 C   0  0  0  0  0
   -1.3290    0.1203    7.3201 C   0  0  0  0  0
   -0.2079    0.7172    6.7509 C   0  0  0  0  0
   -2.8954    0.4966    6.7205 Cl  0  0  0  0  0
    2.7284   -0.9416    9.0126 Cl  0  0  0  0  0
    1.6992   -3.3924    0.6644 H   0  0  0  0  0
    1.6859   -3.0730    3.1382 H   0  0  0  0  0
    2.1883   -1.4591   -0.8072 H   0  0  0  0  0
    2.8730    2.0041    0.6069 H   0  0  0  0  0
    1.8489    1.3425   -0.6315 H   0  0  0  0  0
    4.9987    0.1878   -4.0790 H   0  0  0  0  0
    7.1856    0.6149   -3.0746 H   0  0  0  0  0
    5.3323    1.4670    0.7072 H   0  0  0  0  0
    2.8061   -0.3730   -4.6549 H   0  0  0  0  0
    2.9361    1.4043   -4.5660 H   0  0  0  0  0
   -1.7722   -1.1644   -5.3137 H   0  0  0  0  0
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    0.8835    2.7685   -3.8365 H   0  0  0  0  0
    2.3003    1.3017    4.0787 H   0  0  0  0  0
    0.1872   -1.7914    9.6717 H   0  0  0  0  0
   -2.0576   -1.2626    8.8080 H   0  0  0  0  0
   -0.3327    1.4270    5.9354 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 25  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
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 15 16  1  0  0  0
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 17 22  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2315056

>  <PubChem CID>
71517030

>  <Formula>
C26H17Cl4FN2O4S

>  <Molecular Weight>
614.290000

>  <IUPAC Name>
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2,5-dichlorophenyl)sulfonylpyridine-2-carboxamide

>  <XlogP>
7.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=NC(=C1)CC2=C(C=CC(=C2)Cl)OCC3=C(C=C(C=C3)Cl)F)C(=O)NS(=O)(=O)C4=C(C=CC(=C4)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=NC(=C1)CC2=C(C=CC(=C2)Cl)OCC3=C(C=C(C=C3)Cl)F)C(=O)NS(=O)(=O)C4=C(C=CC(=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C26H17Cl4FN2O4S/c27-17-7-9-24(37-14-15-4-5-18(28)12-22(15)31)16(10-17)11-20-2-1-3-23(32-20)26(34)33-38(35,36)25-13-19(29)6-8-21(25)30/h1-10,12-13H,11,14H2,(H,33,34)

>  <InChI Key>
BPZOEMKYRIFPIG-UHFFFAOYSA-N

