General Information of the Compound
| Compound ID |
CP0429259
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| Compound Name |
4-Benzo[1,3]dioxol-5-yl-6-butoxy-2-(4-methoxy-phenyl)-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C28H26O7
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| Molecular Weight |
474.509
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| Canonical SMILES |
CCCCOc1ccc2OC(C(C(O)=O)=C(c3ccc4OCOc4c3)c2c1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H26O7/c1-3-4-13-32-20-10-12-22-21(15-20)25(18-7-11-23-24(14-18)34-16-33-23)26(28(29)30)27(35-22)17-5-8-19(31-2)9-6-17/h5-12,14-15,27H,3-4,13,16H2,1-2H3,(H,29,30)
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| InChIKey |
RYEDGFHAPFVCCP-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