General Information of the Compound
| Compound ID |
CP0464280
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| Compound Name |
ethyl 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-4-oxo-2-[4-(propanoylamino)phenyl]thieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C35H33F2N3O4S
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| Molecular Weight |
629.729
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)CC)cc1
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| InChI |
InChI=1S/C35H33F2N3O4S/c1-4-30(41)38-24-16-14-23(15-17-24)33-26(19-39(3)18-22-10-7-6-8-11-22)31-32(42)27(35(43)44-5-2)21-40(34(31)45-33)20-25-28(36)12-9-13-29(25)37/h6-17,21H,4-5,18-20H2,1-3H3,(H,38,41)
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| InChIKey |
CSRZZCNRHSUYEM-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