General Information of the Compound
| Compound ID |
CP0545315
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| Compound Name |
(4S,5R)-3-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C18H20F3N7O4
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| Molecular Weight |
455.397
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| Canonical SMILES |
C[C@H]1[C@H](CO)OC(=O)N1c1nc(cc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1
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| InChI |
InChI=1S/C18H20F3N7O4/c1-9-12(8-29)32-17(30)28(9)16-24-11(6-13(25-16)27-2-4-31-5-3-27)10-7-23-15(22)26-14(10)18(19,20)21/h6-7,9,12,29H,2-5,8H2,1H3,(H2,22,23,26)/t9-,12-/m0/s1
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| InChIKey |
QPJYAXKFQRBVOU-CABZTGNLSA-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