General Information of the Compound
| Compound ID |
CP0410144
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| Compound Name |
methyl (E)-2-cyano-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoate
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| Structure |
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| Formula |
C12H11NO4
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| Molecular Weight |
233.223
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| Canonical SMILES |
COC(=O)C(=C\c1cccc(OC)c1O)\C#N
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| InChI |
InChI=1S/C12H11NO4/c1-16-10-5-3-4-8(11(10)14)6-9(7-13)12(15)17-2/h3-6,14H,1-2H3/b9-6+
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| InChIKey |
MUFYUHRQYLPKRH-RMKNXTFCSA-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b