General Information of the Compound
| Compound ID |
CP0501954
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| Compound Name |
ethyl 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C27H28N2O4S
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| Molecular Weight |
476.598
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| Canonical SMILES |
CCOC(=O)c1cn(C)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H28N2O4S/c1-5-33-27(31)22-17-29(3)26-23(24(22)30)21(16-28(2)15-18-9-7-6-8-10-18)25(34-26)19-11-13-20(32-4)14-12-19/h6-14,17H,5,15-16H2,1-4H3
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| InChIKey |
GHRYZTKRVICZMO-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