General Information of the Compound
| Compound ID |
CP0900235
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| Compound Name |
2-(2-bromo-4-hydroxy-5-methoxybenzylidene)thieno[2,3-b]pyridin-3(2H)-one
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| Structure |
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| Formula |
C15H10BrNO3S
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| Molecular Weight |
364.22
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| Canonical SMILES |
COc1cc(/C=C2\Sc3ncccc3C2=O)c(Br)cc1O
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| InChI |
InChI=1S/C15H10BrNO3S/c1-20-12-5-8(10(16)7-11(12)18)6-13-14(19)9-3-2-4-17-15(9)21-13/h2-7,18H,1H3/b13-6-
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| InChIKey |
OMYFIIAHAPRCDY-MLPAPPSSSA-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