
 CHEMBL274489

 67 70  0  0  0  0  0  0  0  0999 V2000
   -4.1381   -6.9367    1.1147 C   0  0  0  0  0
   -4.1386   -5.5698    1.6792 C   0  0  0  0  0
   -4.9522   -5.0636    2.6697 C   0  0  0  0  0
   -4.6212   -3.7682    2.9120 O   0  0  0  0  0
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   -4.3219   -7.0058   -2.3498 O   0  0  0  0  0
   -4.6350   -5.3205   -3.9496 C   0  0  0  0  0
   -4.6220   -5.8258   -5.4234 C   0  0  0  0  0
   -3.2335   -5.8444   -6.0859 C   0  0  0  0  0
   -5.1962   -7.2559   -5.4922 C   0  0  0  0  0
   -5.5324   -4.9026   -6.2606 C   0  0  0  0  0
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    0.8301   -6.2036    1.9706 H   0  0  0  0  0
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    1.4558   -6.4478   -2.9367 H   0  0  0  0  0
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    0.4981   -1.3610   -3.4423 H   0  0  0  0  0
    1.3952   -3.1490   -2.0514 H   0  0  0  0  0
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   -4.5321   -4.2433   -3.8393 H   0  0  0  0  0
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   -2.8282   -4.8376   -6.2180 H   0  0  0  0  0
   -3.2870   -6.2862   -7.0891 H   0  0  0  0  0
   -2.5151   -6.4411   -5.5172 H   0  0  0  0  0
   -6.1958   -7.3052   -5.0472 H   0  0  0  0  0
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   -6.9683   -5.6755    2.8855 H   0  0  0  0  0
   -6.2456   -5.0119    4.3642 H   0  0  0  0  0
   -5.8024   -6.6345    3.8175 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 39  1  0  0  0
  1 40  1  0  0  0
  2  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL274489

>  <PubChem CID>
44277840

>  <Formula>
C27H30N4O5S

>  <Molecular Weight>
522.620000

>  <IUPAC Name>
N-[2-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]-N,3,3-trimethylbutanamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(ON=C1NS(=O)(=O)C2=CC=CC=C2C3=C(C=C(C=C3)C4=NC=CO4)N(C)C(=O)CC(C)(C)C)C

>  <Isomeric SMILES>
CC1=C(ON=C1NS(=O)(=O)C2=CC=CC=C2C3=C(C=C(C=C3)C4=NC=CO4)N(C)C(=O)CC(C)(C)C)C

>  <InChI Std. ID>
InChI=1S/C27H30N4O5S/c1-17-18(2)36-29-25(17)30-37(33,34)23-10-8-7-9-21(23)20-12-11-19(26-28-13-14-35-26)15-22(20)31(6)24(32)16-27(3,4)5/h7-15H,16H2,1-6H3,(H,29,30)

>  <InChI Key>
AXFKGEZDVMCYEO-UHFFFAOYSA-N

