General Information of the Compound
| Compound ID |
CP0493111
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| Compound Name |
2-Hydroxy-3-{(E)-3-[3-(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)c1cccc(C(=O)\C=C\c2cccc(OCc3ccc4ccccc4n3)c2)c1O
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| InChI |
InChI=1S/C26H19NO5/c28-24(21-8-4-9-22(25(21)29)26(30)31)14-11-17-5-3-7-20(15-17)32-16-19-13-12-18-6-1-2-10-23(18)27-19/h1-15,29H,16H2,(H,30,31)/b14-11+
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| InChIKey |
KGNOOMFHDAFWMR-SDNWHVSQSA-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