General Information of the Compound
| Compound ID |
CP0551305
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| Compound Name |
ethyl 3-[[benzyl(ethyl)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 |
C35H36N2O5S
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| Molecular Weight |
596.749
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(c(CN(CC)Cc3ccccc3)c2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C35H36N2O5S/c1-5-36(20-24-12-8-7-9-13-24)22-28-31-32(38)29(35(39)42-6-2)23-37(21-26-14-10-11-15-30(26)41-4)34(31)43-33(28)25-16-18-27(40-3)19-17-25/h7-19,23H,5-6,20-22H2,1-4H3
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| InChIKey |
CFLDETIROACOKJ-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