General Information of the Compound
| Compound ID |
CP0076365
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| Compound Name |
7-(2-Methoxy-benzyl)-2-(4-methoxy-phenyl)-3-methylaminomethyl-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C27H28N2O5S
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| Molecular Weight |
492.597
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(c(CNC)c2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H28N2O5S/c1-5-34-27(31)21-16-29(15-18-8-6-7-9-22(18)33-4)26-23(24(21)30)20(14-28-2)25(35-26)17-10-12-19(32-3)13-11-17/h6-13,16,28H,5,14-15H2,1-4H3
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| InChIKey |
ROZBCYWIZSLLCF-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