General Information of the Compound
| Compound ID |
CP0553678
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| Compound Name |
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C19H20F5N5O3S
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| Molecular Weight |
493.458
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| Canonical SMILES |
Cc1nc(N2CCCC(F)(F)CC2)c(cc1C(F)(F)F)C(=O)Nc1ccnc(c1)S(N)(=O)=O
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| InChI |
InChI=1S/C19H20F5N5O3S/c1-11-14(19(22,23)24)10-13(16(27-11)29-7-2-4-18(20,21)5-8-29)17(30)28-12-3-6-26-15(9-12)33(25,31)32/h3,6,9-10H,2,4-5,7-8H2,1H3,(H2,25,31,32)(H,26,28,30)
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| InChIKey |
IFWUDQJJPUXEKC-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