General Information of the Compound
| Compound ID |
CP0545314
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| Compound Name |
(4S,5R)-3-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-5-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C22H27F3N8O4S
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| Molecular Weight |
556.571
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| Canonical SMILES |
C[C@H]1OC(=O)N([C@H]1CN1CC[S+]([O-])CC1)c1nc(cc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1
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| InChI |
InChI=1S/C22H27F3N8O4S/c1-13-16(12-31-4-8-38(35)9-5-31)33(21(34)37-13)20-28-15(10-17(29-20)32-2-6-36-7-3-32)14-11-27-19(26)30-18(14)22(23,24)25/h10-11,13,16H,2-9,12H2,1H3,(H2,26,27,30)/t13-,16+/m1/s1
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| InChIKey |
GCSAIIBFWKMPEV-CJNGLKHVSA-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