
 CHEMBL2058376

 70 74  0  0  0  0  0  0  0  0999 V2000
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    3.1918    4.1658    8.0513 C   0  0  0  0  0
    2.1322    4.9123    8.5940 C   0  0  0  0  0
    1.1800    5.5237    7.7702 C   0  0  0  0  0
    4.2026    3.5344    8.9812 C   0  0  0  0  0
    4.7764    4.4410    9.8210 F   0  0  0  0  0
    3.6503    2.5817    9.7819 F   0  0  0  0  0
    5.2353    2.9250    8.3336 F   0  0  0  0  0
   -1.0311    8.9525    2.1366 H   0  0  0  0  0
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   -1.0079    8.8877    0.3670 H   0  0  0  0  0
    1.2905    8.9201    1.1177 H   0  0  0  0  0
    0.9582    7.3208    0.4607 H   0  0  0  0  0
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    2.2938    7.2958    2.5785 H   0  0  0  0  0
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   -0.5011    6.0885    2.9576 H   0  0  0  0  0
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    2.6319    4.2976    2.4828 H   0  0  0  0  0
    4.9869    2.2702    2.9533 H   0  0  0  0  0
    5.0541   -0.1492    3.1646 H   0  0  0  0  0
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    0.8414    2.2681    4.1592 H   0  0  0  0  0
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    2.3426   -3.9424    6.5753 H   0  0  0  0  0
    2.7893   -5.6634    4.8456 H   0  0  0  0  0
    3.3506   -4.9926    2.5653 H   0  0  0  0  0
    5.2740   -3.8667    0.7473 H   0  0  0  0  0
    3.5491   -4.8190   -4.9756 H   0  0  0  0  0
    5.1965   -5.2024   -4.4521 H   0  0  0  0  0
    4.7179   -3.5140   -4.7148 H   0  0  0  0  0
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    0.3677    6.1099    8.1868 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
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  2  3  1  0  0  0
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  3  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2058376

>  <PubChem CID>
70696781

>  <Formula>
C30H29F3N4O3S

>  <Molecular Weight>
582.642000

>  <IUPAC Name>
2-[4-[[2-butyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

>  <XlogP>
7.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=C(C(=NO5)C)C)C=C(C=C2)C(F)(F)F

>  <Isomeric SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=C(C(=NO5)C)C)C=C(C=C2)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C30H29F3N4O3S/c1-4-5-10-28-34-25-16-15-23(30(31,32)33)17-26(25)37(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)41(38,39)36-29-19(2)20(3)35-40-29/h6-9,11-17,36H,4-5,10,18H2,1-3H3

>  <InChI Key>
BZQHFABDJBRUMK-UHFFFAOYSA-N

