General Information of the Compound
| Compound ID |
CP0579376
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| Compound Name |
3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-oxazinan-2-one
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| Structure |
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| Formula |
C17H18F3N7O3
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| Molecular Weight |
425.371
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| Canonical SMILES |
Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCCOC2=O)c(n1)C(F)(F)F
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| InChI |
InChI=1S/C17H18F3N7O3/c18-17(19,20)13-10(9-22-14(21)25-13)11-8-12(27-2-1-5-30-16(27)28)24-15(23-11)26-3-6-29-7-4-26/h8-9H,1-7H2,(H2,21,22,25)
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| InChIKey |
OAQVECHOBPSHIL-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