General Information of the Compound
| Compound ID |
CP0337777
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| Compound Name |
3-(3-Carbamoyl-phenyl)-2-cyano-acrylic acid ethyl ester
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| Structure |
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| Formula |
C13H12N2O3
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| Molecular Weight |
244.25
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| Canonical SMILES |
CCOC(=O)C(=C\c1cccc(c1)C(N)=O)\C#N
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| InChI |
InChI=1S/C13H12N2O3/c1-2-18-13(17)11(8-14)7-9-4-3-5-10(6-9)12(15)16/h3-7H,2H2,1H3,(H2,15,16)/b11-7+
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| InChIKey |
QNKQPNUIHKCGNO-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