General Information of the Compound
| Compound ID |
CP0535117
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| Compound Name |
5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H24ClF2N5O3S
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| Molecular Weight |
499.971
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| Canonical SMILES |
NS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(nc2N2CCCC(F)(F)CC2)C2CCC2)ccn1
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| InChI |
InChI=1S/C21H24ClF2N5O3S/c22-16-12-15(20(30)27-14-5-8-26-17(11-14)33(25,31)32)19(28-18(16)13-3-1-4-13)29-9-2-6-21(23,24)7-10-29/h5,8,11-13H,1-4,6-7,9-10H2,(H2,25,31,32)(H,26,27,30)
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| InChIKey |
FHDVCWFHFVMUHZ-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