
 CHEMBL300154

 75 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL300154

>  <PubChem CID>
44300734

>  <Formula>
C32H34N4O3S2

>  <Molecular Weight>
586.769000

>  <IUPAC Name>
N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylbenzamide

>  <XlogP>
7.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=C(SC(=C4)CC(C)C)S(=O)(=O)NC(=O)C5=CC=CC=C5)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=C(SC(=C4)CC(C)C)S(=O)(=O)NC(=O)C5=CC=CC=C5)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C32H34N4O3S2/c1-6-28-34-29-21(4)17-22(5)33-30(29)36(28)19-23-12-14-24(15-13-23)27-18-26(16-20(2)3)40-32(27)41(38,39)35-31(37)25-10-8-7-9-11-25/h7-15,17-18,20H,6,16,19H2,1-5H3,(H,35,37)

>  <InChI Key>
CSOGXUCCWJNWIV-UHFFFAOYSA-N

