General Information of the Compound
| Compound ID |
CP0461249
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| Compound Name |
ethyl 7-benzyl-3-[[benzyl(methyl)amino]methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C36H37N3O4S
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| Molecular Weight |
607.776
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
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| InChI |
InChI=1S/C36H37N3O4S/c1-5-43-36(42)30-23-39(21-26-14-10-7-11-15-26)35-31(32(30)40)29(22-38(4)20-25-12-8-6-9-13-25)33(44-35)27-16-18-28(19-17-27)37-34(41)24(2)3/h6-19,23-24H,5,20-22H2,1-4H3,(H,37,41)
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| InChIKey |
UPUORJMSYYQDHP-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