General Information of the Compound
| Compound ID |
CP0448176
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| Compound Name |
ethyl (2R,3R)-2-(3,4-dihydroxyphenyl)-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate
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| Structure |
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| Formula |
C22H22O8
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| Molecular Weight |
414.41
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| Canonical SMILES |
CCOC(=O)\C=C\c1cc2[C@H]([C@@H](Oc2c(O)c1)c1ccc(O)c(O)c1)C(=O)OCC
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| InChI |
InChI=1S/C22H22O8/c1-3-28-18(26)8-5-12-9-14-19(22(27)29-4-2)20(30-21(14)17(25)10-12)13-6-7-15(23)16(24)11-13/h5-11,19-20,23-25H,3-4H2,1-2H3/b8-5+/t19-,20+/m1/s1
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| InChIKey |
QNJRJGPVTFCVCS-ZLNADXECSA-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