General Information of the Compound
| Compound ID |
CP0867543
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| Compound Name |
Potassium salt of (Z)-3-(4-acetylamino-benzyl)-2-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 |
C27H22KNO7
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| Molecular Weight |
511.571
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| Canonical SMILES |
COc1ccc(C(=O)/C(Cc2ccc(NC(C)=O)cc2)=C(\C(=O)[O-])c2ccc3c(c2)OCO3)cc1.[K+]
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| InChI |
InChI=1S/C27H23NO7.K/c1-16(29)28-20-8-3-17(4-9-20)13-22(26(30)18-5-10-21(33-2)11-6-18)25(27(31)32)19-7-12-23-24(14-19)35-15-34-23;/h3-12,14H,13,15H2,1-2H3,(H,28,29)(H,31,32);/q;+1/p-1/b25-22-;
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| InChIKey |
ILHNYSHSBZUJSR-SIZUISDESA-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