General Information of the Compound
| Compound ID |
CP0495920
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| Compound Name |
ethyl 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-2-[4-(methylcarbamoylamino)phenyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C34H32F2N4O4S
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| Molecular Weight |
630.717
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)NC)cc1
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| InChI |
InChI=1S/C34H32F2N4O4S/c1-4-44-33(42)26-20-40(19-24-27(35)11-8-12-28(24)36)32-29(30(26)41)25(18-39(3)17-21-9-6-5-7-10-21)31(45-32)22-13-15-23(16-14-22)38-34(43)37-2/h5-16,20H,4,17-19H2,1-3H3,(H2,37,38,43)
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| InChIKey |
KVQLZXBEOFLUBY-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