
 CHEMBL2058371

 70 74  0  0  0  0  0  0  0  0999 V2000
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   -2.5940    5.8795    2.2744 C   0  0  0  0  0
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   -1.2012    6.7498    0.9040 H   0  0  0  0  0
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    1.4947   -0.2041   -0.1687 H   0  0  0  0  0
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   11.6509   -3.3382    1.5308 H   0  0  0  0  0
   12.0618   -2.9948   -0.1613 H   0  0  0  0  0
   12.0872   -1.6970    1.0473 H   0  0  0  0  0
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    8.3858   -4.5943    2.0087 H   0  0  0  0  0
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    7.0926    4.6931   -0.9038 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2058371

>  <PubChem CID>
70684239

>  <Formula>
C30H32N4O3S

>  <Molecular Weight>
528.671000

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

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <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

>  <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

>  <InChI Std. ID>
InChI=1S/C30H32N4O3S/c1-5-6-11-29-31-26-17-12-20(2)18-27(26)34(29)19-23-13-15-24(16-14-23)25-9-7-8-10-28(25)38(35,36)33-30-21(3)22(4)32-37-30/h7-10,12-18,33H,5-6,11,19H2,1-4H3

>  <InChI Key>
GYQLFYZRZOFFKO-UHFFFAOYSA-N

