General Information of the Compound
| Compound ID |
CP0408555
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-6-ethoxy-4-(4-methoxy-phenyl)-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 |
CCOc1ccc2OC(C(C(O)=O)=C(c3ccc(OC)cc3)c2c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H22O7/c1-3-30-18-9-11-20-19(13-18)23(15-4-7-17(29-2)8-5-15)24(26(27)28)25(33-20)16-6-10-21-22(12-16)32-14-31-21/h4-13,25H,3,14H2,1-2H3,(H,27,28)
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| InChIKey |
KMZQBJHEQFQYGF-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