General Information of the Compound
| Compound ID |
CP0449419
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| Compound Name |
ethyl 7-benzyl-3-[[benzyl(methyl)amino]methyl]-4-oxo-2-[4-(propanoylamino)phenyl]thieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C35H35N3O4S
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| Molecular Weight |
593.749
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)CC)cc1
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| InChI |
InChI=1S/C35H35N3O4S/c1-4-30(39)36-27-18-16-26(17-19-27)33-28(22-37(3)20-24-12-8-6-9-13-24)31-32(40)29(35(41)42-5-2)23-38(34(31)43-33)21-25-14-10-7-11-15-25/h6-19,23H,4-5,20-22H2,1-3H3,(H,36,39)
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| InChIKey |
BXJKIXKCEJENTF-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