General Information of the Compound
| Compound ID |
CP0511365
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| Compound Name |
(E)-3-[2-Cyano-5-(pyridin-3-ylmethoxy)-phenyl]-2-phenyl-acrylic acid
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| Structure |
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| Formula |
C22H16N2O3
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| Molecular Weight |
356.381
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| Canonical SMILES |
OC(=O)C(=C\c1cc(OCc2cccnc2)ccc1C#N)\c1ccccc1
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| InChI |
InChI=1S/C22H16N2O3/c23-13-18-8-9-20(27-15-16-5-4-10-24-14-16)11-19(18)12-21(22(25)26)17-6-2-1-3-7-17/h1-12,14H,15H2,(H,25,26)/b21-12+
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| InChIKey |
NXGXEWUTBNPEAZ-CIAFOILYSA-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