General Information of the Compound
| Compound ID |
CP0417087
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| Compound Name |
3-cyano-N-(3-ethylphenyl)-5-fluorobenzamide
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| Synonyms |
3-cyano-N-(3-ethylphenyl)-5-fluorobenzamide
CHEMBL1209550
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| Structure |
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| Formula |
C16H13FN2O
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| Molecular Weight |
268.291
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| Canonical SMILES |
CCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
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| InChI |
InChI=1S/C16H13FN2O/c1-2-11-4-3-5-15(8-11)19-16(20)13-6-12(10-18)7-14(17)9-13/h3-9H,2H2,1H3,(H,19,20)
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| InChIKey |
FGYATISUHIGFJB-UHFFFAOYSA-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
Clinical Information about the Compound