General Information of the Compound
| Compound ID |
CP0248127
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| Compound Name |
2-(1,3-benzothiazol-5-yliminomethyl)-3,4-dibromo-6-ethoxyphenol
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| Formula |
C16H12Br2N2O2S
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| Molecular Weight |
456.159
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| Canonical SMILES |
CCOc1cc(Br)c(Br)c(\C=N\c2ccc3scnc3c2)c1O
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| InChI |
InChI=1S/C16H12Br2N2O2S/c1-2-22-13-6-11(17)15(18)10(16(13)21)7-19-9-3-4-14-12(5-9)20-8-23-14/h3-8,21H,2H2,1H3/b19-7+
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| InChIKey |
BZOMOAATOQLIJB-FBCYGCLPSA-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