General Information of the Compound
| Compound ID |
CP0352901
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| Compound Name |
3-(5-Carbamoyl-2-methyl-phenyl)-acrylic acid ethyl ester
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| Structure |
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| Formula |
C13H15NO3
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| Molecular Weight |
233.267
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| Canonical SMILES |
CCOC(=O)\C=C\c1cc(ccc1C)C(N)=O
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| InChI |
InChI=1S/C13H15NO3/c1-3-17-12(15)7-6-10-8-11(13(14)16)5-4-9(10)2/h4-8H,3H2,1-2H3,(H2,14,16)/b7-6+
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| InChIKey |
VYGIVLFYVKJJLR-VOTSOKGWSA-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