General Information of the Compound
| Compound ID |
CP0458762
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| Compound Name |
ethyl 8-bromo-6-chloro-2-oxochromene-3-carboxylate
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| Structure |
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| Formula |
C12H8BrClO4
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| Molecular Weight |
331.549
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| Canonical SMILES |
CCOC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
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| InChI |
InChI=1S/C12H8BrClO4/c1-2-17-11(15)8-4-6-3-7(14)5-9(13)10(6)18-12(8)16/h3-5H,2H2,1H3
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| InChIKey |
DGCHIPOUBUMPLH-UHFFFAOYSA-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