General Information of the Compound
Compound ID |
CP0579778
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Compound Name |
N-[6-[(3R,6R)-5-amino-6-(fluoromethyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoropyridin-2-yl]-5-cyano-3-methylpyridine-2-carboxamide
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Structure |
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Formula |
C20H20F2N6O3S
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Molecular Weight |
462.482
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Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1)C#N
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InChI |
InChI=1S/C20H20F2N6O3S/c1-11-6-12(7-23)8-25-15(11)17(29)27-14-5-4-13(22)16(26-14)19(2)10-32(30,31)20(3,9-21)18(24)28-19/h4-6,8H,9-10H2,1-3H3,(H2,24,28)(H,26,27,29)/t19-,20-/m0/s1
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InChIKey |
JAVXNEFHLKIHME-PMACEKPBSA-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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PubChem ID |
Map of Molecular Bioactivity Related to the Compound
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