General Information of the Compound
| Compound ID |
CP0579375
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| Compound Name |
1-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one
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| Structure |
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| Formula |
C23H22F3N7O2
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| Molecular Weight |
485.47
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| Canonical SMILES |
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCN(C1=O)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N7O2/c24-23(25,26)17-12-19(27)28-14-16(17)18-13-20(30-21(29-18)31-8-10-35-11-9-31)33-7-6-32(22(33)34)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H2,27,28)
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| InChIKey |
DAVMGHKVRIVQHK-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