General Information of the Compound
| Compound ID |
CP0486698
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| Compound Name |
ethyl 2-(4-acetamidophenyl)-7-benzyl-3-[[benzyl(methyl)amino]methyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C34H33N3O4S
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| Molecular Weight |
579.722
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(C)=O)cc1
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| InChI |
InChI=1S/C34H33N3O4S/c1-4-41-34(40)29-22-37(20-25-13-9-6-10-14-25)33-30(31(29)39)28(21-36(3)19-24-11-7-5-8-12-24)32(42-33)26-15-17-27(18-16-26)35-23(2)38/h5-18,22H,4,19-21H2,1-3H3,(H,35,38)
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| InChIKey |
JKMFUJVIEMMGEA-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