General Information of the Compound
| Compound ID |
CP0574436
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| Compound Name |
5-[2-morpholin-4-yl-6-(2-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
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| Structure |
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| Formula |
C24H25F3N6O2
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| Molecular Weight |
486.498
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| Canonical SMILES |
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOC(C1)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C24H25F3N6O2/c25-24(26,27)18-12-21(28)29-14-17(18)19-13-22(31-23(30-19)32-6-9-34-10-7-32)33-8-11-35-20(15-33)16-4-2-1-3-5-16/h1-5,12-14,20H,6-11,15H2,(H2,28,29)
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| InChIKey |
QTQLXWBKHCYYSY-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