General Information of the Compound
| Compound ID |
CP0860431
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| Compound Name |
Sodium salt (Z)-3-benzyl-2-(7-methoxy-benzo[1,3]dioxol-5-yl)-4-(4-methoxy-phenyl)-4-oxo-but-2-enoate
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| Structure |
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| Formula |
C26H21NaO7
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| Molecular Weight |
468.437
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| Canonical SMILES |
COc1ccc(C(=O)/C(Cc2ccccc2)=C(\C(=O)[O-])c2cc(OC)c3c(c2)OCO3)cc1.[Na+]
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| InChI |
InChI=1S/C26H22O7.Na/c1-30-19-10-8-17(9-11-19)24(27)20(12-16-6-4-3-5-7-16)23(26(28)29)18-13-21(31-2)25-22(14-18)32-15-33-25;/h3-11,13-14H,12,15H2,1-2H3,(H,28,29);/q;+1/p-1/b23-20-;
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| InChIKey |
QTBXSWKNBOWQIN-QTXBERLJSA-M
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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