
 CHEMBL329290

 76 79  0  0  0  0  0  0  0  0999 V2000
    4.4170    1.3535    6.0583 C   0  0  0  0  0
    4.0275    1.2339    4.5930 C   0  0  0  0  0
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    6.1231    1.4376   -6.3014 C   0  0  0  0  0
    5.5230    0.2520   -6.0291 O   0  0  0  0  0
    5.8031    3.6466   -7.8985 Cl  0  0  0  0  0
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    4.2581    8.6726    0.6311 C   0  0  0  0  0
    4.2292    7.2552    0.6595 C   0  0  0  0  0
    2.8642    6.6161    0.8022 C   0  0  0  0  0
    2.5119    6.3897    2.0992 F   0  0  0  0  0
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   -0.0672   -0.3716   -1.0331 C   0  0  0  0  0
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    1.1582    0.3975   -2.0432 Cl  0  0  0  0  0
    3.8611    0.6274    6.6597 H   0  0  0  0  0
    4.1949    2.3541    6.4434 H   0  0  0  0  0
    5.4861    1.1626    6.1965 H   0  0  0  0  0
    2.9444    1.3721    4.4971 H   0  0  0  0  0
    4.2601    0.2233    4.2384 H   0  0  0  0  0
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    8.1627    2.2289    0.9656 H   0  0  0  0  0
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    7.8707    0.9234   -3.6005 H   0  0  0  0  0
    6.0196   -2.1474   -1.2101 H   0  0  0  0  0
    6.0514   -0.6525    0.7282 H   0  0  0  0  0
    9.2120   -1.6676   -3.5739 H   0  0  0  0  0
    9.5633   -3.2388   -5.4297 H   0  0  0  0  0
    7.6237   -4.2097   -6.6324 H   0  0  0  0  0
    5.3401   -3.5748   -5.9938 H   0  0  0  0  0
    2.8537   -2.5664   -5.6037 H   0  0  0  0  0
    7.0357    1.6412   -5.7607 H   0  0  0  0  0
    7.5783    6.7892    0.1592 H   0  0  0  0  0
    7.5496    9.2118    0.0546 H   0  0  0  0  0
    5.4345   10.4637    0.4008 H   0  0  0  0  0
    3.3340    9.2374    0.7605 H   0  0  0  0  0
    0.4254   -0.9280   -0.2319 H   0  0  0  0  0
   -0.6556   -1.0563   -1.6486 H   0  0  0  0  0
  1  2  1  0  0  0
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 27 69  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL329290

>  <PubChem CID>
44327913

>  <Formula>
C32H27Cl4F3N4O5S

>  <Molecular Weight>
778.446000

>  <IUPAC Name>
N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3,4-dichlorofuran-2-carboxamide;dichloromethane

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C(=CO4)Cl)Cl)C5=CC=CC=C5C(F)(F)F.C(Cl)Cl

>  <Isomeric SMILES>
CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C(=CO4)Cl)Cl)C5=CC=CC=C5C(F)(F)F.C(Cl)Cl

>  <InChI Std. ID>
InChI=1S/C31H25Cl2F3N4O5S.CH2Cl2/c1-2-3-12-26-37-40(24-10-6-5-9-22(24)31(34,35)36)30(42)39(26)17-19-13-15-20(16-14-19)21-8-4-7-11-25(21)46(43,44)38-29(41)28-27(33)23(32)18-45-28;2-1-3/h4-11,13-16,18H,2-3,12,17H2,1H3,(H,38,41);1H2

>  <InChI Key>
CJCXTCJRUJBCJG-UHFFFAOYSA-N

