General Information of the Compound
| Compound ID |
CP0479749
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-6-(2-hydroxy-1-methyl-ethoxy)-4-(4-methoxy-phenyl)-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C27H24O8
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| Molecular Weight |
476.481
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| Canonical SMILES |
COc1ccc(cc1)C1=C(C(Oc2ccc(OC(C)CO)cc12)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C27H24O8/c1-15(13-28)34-19-8-10-21-20(12-19)24(16-3-6-18(31-2)7-4-16)25(27(29)30)26(35-21)17-5-9-22-23(11-17)33-14-32-22/h3-12,15,26,28H,13-14H2,1-2H3,(H,29,30)
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| InChIKey |
RWKYOAIDAXDHKV-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