General Information of the Compound
| Compound ID |
CP0959150
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| Compound Name |
2-cyano-3-(4-ethylphenyl)acrylic acid
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| Structure |
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| Formula |
C12H11NO2
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| Molecular Weight |
201.225
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| Canonical SMILES |
CCc1ccc(/C=C(\C#N)C(=O)O)cc1
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| InChI |
InChI=1S/C12H11NO2/c1-2-9-3-5-10(6-4-9)7-11(8-13)12(14)15/h3-7H,2H2,1H3,(H,14,15)/b11-7+
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| InChIKey |
QRDHGGUIGSKAKC-YRNVUSSQSA-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