General Information of the Compound
| Compound ID |
CP0511372
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-butoxy-6-ethoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C23H24O7
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| Molecular Weight |
412.438
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| Canonical SMILES |
CCCCOC1=C(C(Oc2ccc(OCC)cc12)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C23H24O7/c1-3-5-10-27-22-16-12-15(26-4-2)7-9-17(16)30-21(20(22)23(24)25)14-6-8-18-19(11-14)29-13-28-18/h6-9,11-12,21H,3-5,10,13H2,1-2H3,(H,24,25)
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| InChIKey |
OEQAMLQTNPNUOX-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