General Information of the Compound
| Compound ID |
CP0407133
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| Compound Name |
2,6-Dibromo-4-[2-(3-methyl-isoxazol-5-yl)-vinyl]-phenol
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| Structure |
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| Formula |
C12H9Br2NO2
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| Molecular Weight |
359.017
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| Canonical SMILES |
Cc1cc(\C=C\c2cc(Br)c(O)c(Br)c2)on1
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| InChI |
InChI=1S/C12H9Br2NO2/c1-7-4-9(17-15-7)3-2-8-5-10(13)12(16)11(14)6-8/h2-6,16H,1H3/b3-2+
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| InChIKey |
PQGDIVHGSPWZNB-NSCUHMNNSA-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