General Information of the Compound
| Compound ID |
CP0565869
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| Compound Name |
2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C19H23F2N5O3S
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| Molecular Weight |
439.488
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccnc(c2)S(N)(=O)=O)c(nc1C)N1CCCC(F)(F)CC1
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| InChI |
InChI=1S/C19H23F2N5O3S/c1-12-10-15(18(27)25-14-4-7-23-16(11-14)30(22,28)29)17(24-13(12)2)26-8-3-5-19(20,21)6-9-26/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H2,22,28,29)(H,23,25,27)
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| InChIKey |
AJTKXBXYINEDCZ-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