General Information of the Compound
| Compound ID |
CP0871246
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| Compound Name |
Sodium salt (Z)-2-(7-methoxy-benzo[1,3]dioxol-5-yl)-4-(4-methoxy-3-methyl-phenyl)-4-oxo-3-(2,3,4-trimethoxy-benzyl)-but-2-enoate
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| Structure |
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| Formula |
C30H29NaO10
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| Molecular Weight |
572.542
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| Canonical SMILES |
COc1ccc(C(=O)/C(Cc2ccc(OC)c(OC)c2OC)=C(\C(=O)[O-])c2cc(OC)c3c(c2)OCO3)cc1C.[Na+]
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| InChI |
InChI=1S/C30H30O10.Na/c1-16-11-17(7-9-21(16)34-2)26(31)20(12-18-8-10-22(35-3)29(38-6)27(18)37-5)25(30(32)33)19-13-23(36-4)28-24(14-19)39-15-40-28;/h7-11,13-14H,12,15H2,1-6H3,(H,32,33);/q;+1/p-1/b25-20-;
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| InChIKey |
IDGWWMXMFBMDMP-RKVLWQGQSA-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