General Information of the Compound
| Compound ID |
CP0579116
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| Compound Name |
[(3R)-4-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-3-yl]methanol
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| Structure |
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| Formula |
C19H23F3N6O3
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| Molecular Weight |
440.426
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| Canonical SMILES |
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOC[C@H]1CO)C(F)(F)F
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| InChI |
InChI=1S/C19H23F3N6O3/c20-19(21,22)14-7-16(23)24-9-13(14)15-8-17(28-3-6-31-11-12(28)10-29)26-18(25-15)27-1-4-30-5-2-27/h7-9,12,29H,1-6,10-11H2,(H2,23,24)/t12-/m1/s1
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| InChIKey |
BCEYGOFNIRKGDZ-GFCCVEGCSA-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