General Information of the Compound
| Compound ID |
CP0885962
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| Compound Name |
Sodium salt (Z)-2-(7-methoxy-benzo[1,3]dioxol-5-yl)-4-(4-methoxy-phenyl)-4-oxo-3-(2,3,4-trimethoxy-benzyl)-but-2-enoate
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| Structure |
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| Formula |
C29H27NaO10
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| Molecular Weight |
558.515
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| Canonical SMILES |
COc1ccc(C(=O)/C(Cc2ccc(OC)c(OC)c2OC)=C(\C(=O)[O-])c2cc(OC)c3c(c2)OCO3)cc1.[Na+]
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| InChI |
InChI=1S/C29H28O10.Na/c1-33-19-9-6-16(7-10-19)25(30)20(12-17-8-11-21(34-2)28(37-5)26(17)36-4)24(29(31)32)18-13-22(35-3)27-23(14-18)38-15-39-27;/h6-11,13-14H,12,15H2,1-5H3,(H,31,32);/q;+1/p-1/b24-20-;
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| InChIKey |
OYKLTWPYWFJGDM-RKEQJQHUSA-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