General Information of the Compound
| Compound ID |
CP0463350
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-ethoxy-6-isopropoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C22H22O7
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| Molecular Weight |
398.411
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| Canonical SMILES |
CCOC1=C(C(Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C22H22O7/c1-4-25-21-15-10-14(28-12(2)3)6-8-16(15)29-20(19(21)22(23)24)13-5-7-17-18(9-13)27-11-26-17/h5-10,12,20H,4,11H2,1-3H3,(H,23,24)
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| InChIKey |
JUKZVYAZPQISFD-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