General Information of the Compound
| Compound ID |
CP0552713
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| Compound Name |
1-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
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| Structure |
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| Formula |
C19H21F3N6O2
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| Molecular Weight |
422.411
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| Canonical SMILES |
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCCCC1=O)C(F)(F)F
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| InChI |
InChI=1S/C19H21F3N6O2/c20-19(21,22)13-9-15(23)24-11-12(13)14-10-16(28-4-2-1-3-17(28)29)26-18(25-14)27-5-7-30-8-6-27/h9-11H,1-8H2,(H2,23,24)
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| InChIKey |
VMNJRUHRPRIOQT-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