General Information of the Compound
| Compound ID |
CP0536422
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| Compound Name |
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
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| Structure |
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| Formula |
C22H20F3N3O3S
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| Molecular Weight |
463.481
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccncc1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H20F3N3O3S/c1-16-5-7-20(8-6-16)32(30,31)28(19-4-2-3-18(13-19)22(23,24)25)15-21(29)27-14-17-9-11-26-12-10-17/h2-13H,14-15H2,1H3,(H,27,29)
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| InChIKey |
BELQBTOQMMQYFF-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