General Information of the Compound
| Compound ID |
CP0094435
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| Compound Name |
3-(3-Carbamoyl-phenyl)-acrylic acid pyridin-2-ylmethyl ester
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| Structure |
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| Formula |
C16H14N2O3
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| Molecular Weight |
282.299
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| Canonical SMILES |
NC(=O)c1cccc(\C=C\C(=O)OCc2ccccn2)c1
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| InChI |
InChI=1S/C16H14N2O3/c17-16(20)13-5-3-4-12(10-13)7-8-15(19)21-11-14-6-1-2-9-18-14/h1-10H,11H2,(H2,17,20)/b8-7+
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| InChIKey |
NNNDPWCGVUUYTP-BQYQJAHWSA-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