General Information of the Compound
| Compound ID |
CP0075660
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| Compound Name |
1,2-bis(5-bromo-2-hydroxyphenyl)ethane-1,2-dione
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| Structure |
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| Formula |
C14H8Br2O4
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| Molecular Weight |
400.022
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| Canonical SMILES |
Oc1ccc(Br)cc1C(=O)C(=O)c1cc(Br)ccc1O
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| InChI |
InChI=1S/C14H8Br2O4/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6,17-18H
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| InChIKey |
AAOYLOCWJSLLJU-UHFFFAOYSA-N
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| CAS |
523-88-6
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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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3