General Information of the Compound
| Compound ID |
CP0540098
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| Compound Name |
5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C20H22ClF2N5O3S
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| Molecular Weight |
485.944
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| Canonical SMILES |
NS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(nc2N2CCCC(F)(F)CC2)C2CC2)ccn1
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| InChI |
InChI=1S/C20H22ClF2N5O3S/c21-15-11-14(19(29)26-13-4-7-25-16(10-13)32(24,30)31)18(27-17(15)12-2-3-12)28-8-1-5-20(22,23)6-9-28/h4,7,10-12H,1-3,5-6,8-9H2,(H2,24,30,31)(H,25,26,29)
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| InChIKey |
DVOGNPUSMDKLLD-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