General Information of the Compound
| Compound ID |
CP0558301
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| Compound Name |
N-[3-(4-cyanophenyl)pyridin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C18H13N3O2S
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| Molecular Weight |
335.388
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| Canonical SMILES |
O=S(=O)(Nc1ccncc1-c1ccc(cc1)C#N)c1ccccc1
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| InChI |
InChI=1S/C18H13N3O2S/c19-12-14-6-8-15(9-7-14)17-13-20-11-10-18(17)21-24(22,23)16-4-2-1-3-5-16/h1-11,13H,(H,20,21)
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| InChIKey |
SQNJBFIVUBQZGN-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