General Information of the Compound
| Compound ID |
CP0399107
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| Compound Name |
N-(4-cyanophenyl)-2-[N-[(4-fluorophenyl)methylsulfonyl]-4-methylanilino]acetamide
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| Structure |
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| Formula |
C23H20FN3O3S
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| Molecular Weight |
437.496
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| Canonical SMILES |
Cc1ccc(cc1)N(CC(=O)Nc1ccc(cc1)C#N)S(=O)(=O)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C23H20FN3O3S/c1-17-2-12-22(13-3-17)27(31(29,30)16-19-4-8-20(24)9-5-19)15-23(28)26-21-10-6-18(14-25)7-11-21/h2-13H,15-16H2,1H3,(H,26,28)
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| InChIKey |
ZIOFMOWAXVRBME-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