General Information of the Compound
| Compound ID |
CP0439642
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| Compound Name |
ethyl 2-(4-aminophenyl)-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 |
C32H31N3O3S
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| Molecular Weight |
537.685
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(N)cc1
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| InChI |
InChI=1S/C32H31N3O3S/c1-3-38-32(37)27-21-35(19-23-12-8-5-9-13-23)31-28(29(27)36)26(20-34(2)18-22-10-6-4-7-11-22)30(39-31)24-14-16-25(33)17-15-24/h4-17,21H,3,18-20,33H2,1-2H3
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| InChIKey |
LITCGMRXTFPHQC-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