General Information of the Compound
| Compound ID |
CP0498019
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-[2-(4-methoxy-phenyl)-ethoxy]-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C29H28O8
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| Molecular Weight |
504.535
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| Canonical SMILES |
COc1ccc(CCOC2=C(C(Oc3ccc(OC(C)C)cc23)c2ccc3OCOc3c2)C(O)=O)cc1
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| InChI |
InChI=1S/C29H28O8/c1-17(2)36-21-9-11-23-22(15-21)28(33-13-12-18-4-7-20(32-3)8-5-18)26(29(30)31)27(37-23)19-6-10-24-25(14-19)35-16-34-24/h4-11,14-15,17,27H,12-13,16H2,1-3H3,(H,30,31)
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| InChIKey |
NNLLZPXZTADUAZ-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