
 CHEMBL364094

 59 62  0  0  0  0  0  0  0  0999 V2000
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    8.8981    8.7124   -1.1834 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL364094

>  <PubChem CID>
11475988

>  <Formula>
C26H28N2O2S

>  <Molecular Weight>
432.582000

>  <IUPAC Name>
1-acetyl-2,2,4-trimethyl-4-phenyl-N-(thiophen-2-ylmethyl)-3H-quinoline-6-carboxamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)N1C2=C(C=C(C=C2)C(=O)NCC3=CC=CS3)C(CC1(C)C)(C)C4=CC=CC=C4

>  <Isomeric SMILES>
CC(=O)N1C2=C(C=C(C=C2)C(=O)NCC3=CC=CS3)C(CC1(C)C)(C)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H28N2O2S/c1-18(29)28-23-13-12-19(24(30)27-16-21-11-8-14-31-21)15-22(23)26(4,17-25(28,2)3)20-9-6-5-7-10-20/h5-15H,16-17H2,1-4H3,(H,27,30)

>  <InChI Key>
VIDRCLKYUFUTRQ-UHFFFAOYSA-N

