General Information of the Compound
| Compound ID |
CP0519377
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| Compound Name |
4-Hydroxy-3-{(E)-3-[4-(quinolin-2-ylmethoxy)-phenyl]-acryloyl}-benzoic acid
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| Structure |
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| Formula |
C26H19NO5
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| Molecular Weight |
425.44
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| Canonical SMILES |
OC(=O)c1ccc(O)c(c1)C(=O)\C=C\c1ccc(OCc2ccc3ccccc3n2)cc1
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| InChI |
InChI=1S/C26H19NO5/c28-24(22-15-19(26(30)31)9-14-25(22)29)13-7-17-5-11-21(12-6-17)32-16-20-10-8-18-3-1-2-4-23(18)27-20/h1-15,29H,16H2,(H,30,31)/b13-7+
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| InChIKey |
POSBEAIEWFUXQK-NTUHNPAUSA-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