General Information of the Compound
| Compound ID |
CP0431641
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| Compound Name |
6-bromo-8-nitro-2-oxochromene-3-carboxylic acid
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| Structure |
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| Formula |
C10H4BrNO6
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| Molecular Weight |
314.047
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| Canonical SMILES |
OC(=O)c1cc2cc(Br)cc([N+]([O-])=O)c2oc1=O
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| InChI |
InChI=1S/C10H4BrNO6/c11-5-1-4-2-6(9(13)14)10(15)18-8(4)7(3-5)12(16)17/h1-3H,(H,13,14)
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| InChIKey |
IKQHRVXYTMOVAH-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