General Information of the Compound
| Compound ID |
CP0526597
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-chloro-6-isopropoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C20H17ClO6
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| Molecular Weight |
388.803
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| Canonical SMILES |
CC(C)Oc1ccc2OC(C(C(O)=O)=C(Cl)c2c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C20H17ClO6/c1-10(2)26-12-4-6-14-13(8-12)18(21)17(20(22)23)19(27-14)11-3-5-15-16(7-11)25-9-24-15/h3-8,10,19H,9H2,1-2H3,(H,22,23)
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| InChIKey |
FSPZCXDXOYLYCH-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