General Information of the Compound
| Compound ID |
CP0408175
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| Compound Name |
N-[3-(4-cyanophenyl)pyridin-4-yl]-1,1,1-trifluoromethanesulfonamide
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| Structure |
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| Formula |
C13H8F3N3O2S
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| Molecular Weight |
327.287
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| Canonical SMILES |
FC(F)(F)S(=O)(=O)Nc1ccncc1-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C13H8F3N3O2S/c14-13(15,16)22(20,21)19-12-5-6-18-8-11(12)10-3-1-9(7-17)2-4-10/h1-6,8H,(H,18,19)
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| InChIKey |
PNEHLXCEEHUQLF-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