General Information of the Compound
| Compound ID |
CP0538123
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| Compound Name |
ethyl 7-benzyl-3-[[benzyl(methyl)amino]methyl]-2-(2-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C33H32N2O4S
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| Molecular Weight |
552.696
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccccc1OC
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| InChI |
InChI=1S/C33H32N2O4S/c1-4-39-33(37)27-22-35(20-24-15-9-6-10-16-24)32-29(30(27)36)26(21-34(2)19-23-13-7-5-8-14-23)31(40-32)25-17-11-12-18-28(25)38-3/h5-18,22H,4,19-21H2,1-3H3
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| InChIKey |
WVZVBULMFDWEKC-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