General Information of the Compound
| Compound ID |
CP0449533
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| Compound Name |
ethyl 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C34H34N2O5S
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| Molecular Weight |
582.722
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C34H34N2O5S/c1-5-41-34(38)29-22-36(20-24-11-15-26(39-3)16-12-24)33-30(31(29)37)28(21-35(2)19-23-9-7-6-8-10-23)32(42-33)25-13-17-27(40-4)18-14-25/h6-18,22H,5,19-21H2,1-4H3
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| InChIKey |
KRIBGAKMALWAFC-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