General Information of the Compound
| Compound ID |
CP0501955
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| Compound Name |
ethyl 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C26H26N2O4S
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| Molecular Weight |
462.571
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| Canonical SMILES |
CCOC(=O)c1cnc2sc(c(CN(C)Cc3ccccc3)c2c1O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C26H26N2O4S/c1-4-32-26(30)20-14-27-25-22(23(20)29)21(16-28(2)15-17-8-6-5-7-9-17)24(33-25)18-10-12-19(31-3)13-11-18/h5-14H,4,15-16H2,1-3H3,(H,27,29)
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| InChIKey |
YEEFTSBMAXQXJW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound