General Information of the Compound
| Compound ID |
CP0540099
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| Compound Name |
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethoxy)pyridine-3-carboxamide
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| Structure |
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| Formula |
C18H18F5N5O4S
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| Molecular Weight |
495.43
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| Canonical SMILES |
NS(=O)(=O)c1cc(NC(=O)c2cc(OC(F)(F)F)cnc2N2CCCC(F)(F)CC2)ccn1
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| InChI |
InChI=1S/C18H18F5N5O4S/c19-17(20)3-1-6-28(7-4-17)15-13(9-12(10-26-15)32-18(21,22)23)16(29)27-11-2-5-25-14(8-11)33(24,30)31/h2,5,8-10H,1,3-4,6-7H2,(H2,24,30,31)(H,25,27,29)
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| InChIKey |
HSWWXBFOMGQCFB-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