General Information of the Compound
| Compound ID |
CP0552712
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| Compound Name |
5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
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| Structure |
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| Formula |
C18H21F3N6O3S
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| Molecular Weight |
458.466
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| Canonical SMILES |
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCS(=O)(=O)CC1)C(F)(F)F
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| InChI |
InChI=1S/C18H21F3N6O3S/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-3-7-31(28,29)8-4-26)25-17(24-14)27-1-5-30-6-2-27/h9-11H,1-8H2,(H2,22,23)
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| InChIKey |
UNIZLUCMYNPQFL-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
Protein ID: PT07498, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT06232, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform