General Information of the Compound
| Compound ID |
CP0551303
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| Compound Name |
ethyl 7-benzyl-3-[[benzyl(methyl)amino]methyl]-2-[4-[methyl(methylcarbamoyl)amino]phenyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C35H36N4O4S
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| Molecular Weight |
608.764
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(cc1)N(C)C(=O)NC
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| InChI |
InChI=1S/C35H36N4O4S/c1-5-43-34(41)29-23-39(21-25-14-10-7-11-15-25)33-30(31(29)40)28(22-37(3)20-24-12-8-6-9-13-24)32(44-33)26-16-18-27(19-17-26)38(4)35(42)36-2/h6-19,23H,5,20-22H2,1-4H3,(H,36,42)
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| InChIKey |
NSSJCYGGRMNCTP-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