General Information of the Compound
| Compound ID |
CP0464281
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| Compound Name |
ethyl 7-benzyl-3-[[benzyl(methyl)amino]methyl]-4-oxo-2-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C39H36N4O4S
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| Molecular Weight |
656.808
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)Nc2ccccc2)cc1
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| InChI |
InChI=1S/C39H36N4O4S/c1-3-47-38(45)33-26-43(24-28-15-9-5-10-16-28)37-34(35(33)44)32(25-42(2)23-27-13-7-4-8-14-27)36(48-37)29-19-21-31(22-20-29)41-39(46)40-30-17-11-6-12-18-30/h4-22,26H,3,23-25H2,1-2H3,(H2,40,41,46)
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| InChIKey |
RYJLIOLMXOYQJJ-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