General Information of the Compound
| Compound ID |
CP0411398
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| Compound Name |
4-chloro-N-[3-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]oxyphenyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H15ClF3N3O3S
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| Molecular Weight |
493.894
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| Canonical SMILES |
FC(F)(F)c1cc(nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C#N)C1CC1
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| InChI |
InChI=1S/C22H15ClF3N3O3S/c23-14-6-8-17(9-7-14)33(30,31)29-15-2-1-3-16(10-15)32-21-18(12-27)19(22(24,25)26)11-20(28-21)13-4-5-13/h1-3,6-11,13,29H,4-5H2
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| InChIKey |
FOFKDNXUVNAELV-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