General Information of the Compound
| Compound ID |
CP0261005
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| Compound Name |
(2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C12H12N2O2
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| Molecular Weight |
216.24
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| Canonical SMILES |
CN(C)c1ccc(\C=C(/C#N)C(O)=O)cc1
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| InChI |
InChI=1S/C12H12N2O2/c1-14(2)11-5-3-9(4-6-11)7-10(8-13)12(15)16/h3-7H,1-2H3,(H,15,16)/b10-7+
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| InChIKey |
CXZXLLVNQYUMAW-JXMROGBWSA-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