General Information of the Compound
| Compound ID |
CP0955315
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| Compound Name |
2-(2-bromo-4-hydroxy-5-methoxybenzylidene)imidazo[2,1-b]thiazol-3(2H)-one
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| Structure |
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| Formula |
C13H9BrN2O3S
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| Molecular Weight |
353.197
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| Canonical SMILES |
COc1cc(/C=c2\sc3nccn3c2=O)c(Br)cc1O
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| InChI |
InChI=1S/C13H9BrN2O3S/c1-19-10-4-7(8(14)6-9(10)17)5-11-12(18)16-3-2-15-13(16)20-11/h2-6,17H,1H3/b11-5-
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| InChIKey |
MDUPBQQPIGBGCX-WZUFQYTHSA-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