General Information of the Compound
| Compound ID |
CP0542982
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| Compound Name |
ethyl 3-[[acetyl(benzyl)amino]methyl]-2-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C35H34N2O6S
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| Molecular Weight |
610.732
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(c(CN(Cc3ccccc3)C(C)=O)c2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C35H34N2O6S/c1-5-43-35(40)29-22-37(20-26-13-9-10-14-30(26)42-4)34-31(32(29)39)28(33(44-34)25-15-17-27(41-3)18-16-25)21-36(23(2)38)19-24-11-7-6-8-12-24/h6-18,22H,5,19-21H2,1-4H3
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| InChIKey |
KMPPRQRJDKJLIO-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