General Information of the Compound
| Compound ID |
CP0505897
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-(4-hydroxy-phenyl)-6-isopropoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C26H22O7
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| Molecular Weight |
446.455
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| Canonical SMILES |
CC(C)Oc1ccc2OC(C(C(O)=O)=C(c3ccc(O)cc3)c2c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H22O7/c1-14(2)32-18-8-10-20-19(12-18)23(15-3-6-17(27)7-4-15)24(26(28)29)25(33-20)16-5-9-21-22(11-16)31-13-30-21/h3-12,14,25,27H,13H2,1-2H3,(H,28,29)
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| InChIKey |
HWVMJVABFQFFPJ-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