General Information of the Compound
| Compound ID |
CP0459277
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| Compound Name |
2,4-Bis-benzo[1,3]dioxol-5-yl-6-isopropoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C27H22O8
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| Molecular Weight |
474.465
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| Canonical SMILES |
CC(C)Oc1ccc2OC(C(C(O)=O)=C(c3ccc4OCOc4c3)c2c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H22O8/c1-14(2)34-17-5-8-19-18(11-17)24(15-3-6-20-22(9-15)32-12-30-20)25(27(28)29)26(35-19)16-4-7-21-23(10-16)33-13-31-21/h3-11,14,26H,12-13H2,1-2H3,(H,28,29)
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| InChIKey |
MNDFDHZJDKQKOP-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