General Information of the Compound
| Compound ID |
CP0420255
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| Compound Name |
N-(4-cyanophenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
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| Structure |
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| Formula |
C22H18FN3O3S
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| Molecular Weight |
423.469
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H18FN3O3S/c1-16-2-12-21(13-3-16)30(28,29)26(20-10-6-18(23)7-11-20)15-22(27)25-19-8-4-17(14-24)5-9-19/h2-13H,15H2,1H3,(H,25,27)
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| InChIKey |
WQVRXHFMUCQRSE-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