General Information of the Compound
| Compound ID |
CP0445418
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-(4-chloro-phenyl)-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C23H15ClO5
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| Molecular Weight |
406.821
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| Canonical SMILES |
OC(=O)C1=C(c2ccc(Cl)cc2)c2ccccc2OC1c1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H15ClO5/c24-15-8-5-13(6-9-15)20-16-3-1-2-4-17(16)29-22(21(20)23(25)26)14-7-10-18-19(11-14)28-12-27-18/h1-11,22H,12H2,(H,25,26)
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| InChIKey |
OFDRFALECLRCCQ-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