General Information of the Compound
| Compound ID |
CP0548095
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| Compound Name |
2-[(4S,5R)-3-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]acetonitrile
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| Structure |
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| Formula |
C19H19F3N8O3
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| Molecular Weight |
464.408
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| Canonical SMILES |
C[C@H]1OC(=O)N([C@H]1CC#N)c1nc(cc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1
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| InChI |
InChI=1S/C19H19F3N8O3/c1-10-13(2-3-23)30(18(31)33-10)17-26-12(8-14(27-17)29-4-6-32-7-5-29)11-9-25-16(24)28-15(11)19(20,21)22/h8-10,13H,2,4-7H2,1H3,(H2,24,25,28)/t10-,13+/m1/s1
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| InChIKey |
AIJDYIDNXVGOGC-MFKMUULPSA-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