
 CHEMBL337006

 78 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL337006

>  <PubChem CID>
10326140

>  <Formula>
C34H35N5O3S

>  <Molecular Weight>
593.746000

>  <IUPAC Name>
N-(benzenesulfonyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-prop-2-enylanilino]-2-phenylacetamide

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C34H35N5O3S/c1-5-21-38(32(27-13-9-7-10-14-27)34(40)37-43(41,42)29-15-11-8-12-16-29)28-19-17-26(18-20-28)23-39-30(6-2)36-31-24(3)22-25(4)35-33(31)39/h5,7-20,22,32H,1,6,21,23H2,2-4H3,(H,37,40)

>  <InChI Key>
AMYVYTINLQCLIS-UHFFFAOYSA-N

