General Information of the Compound
| Compound ID |
CP0496632
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| Compound Name |
2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-5-ylbenzoate
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| Structure |
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| Formula |
C22H14O7
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| Molecular Weight |
390.347
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| Canonical SMILES |
Oc1cc(OC(=O)c2ccccc2)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C22H14O7/c23-14-9-19-21(20(10-14)29-22(27)12-4-2-1-3-5-12)17(26)11-18(28-19)13-6-7-15(24)16(25)8-13/h1-11,23-25H
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| InChIKey |
QTDXUYYBTJTRHA-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