General Information of the Compound
| Compound ID |
CP0546964
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| Compound Name |
1-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrrolidin-2-one
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| Structure |
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| Formula |
C18H19F3N6O2
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| Molecular Weight |
408.384
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| Canonical SMILES |
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCCC1=O)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3N6O2/c19-18(20,21)12-8-14(22)23-10-11(12)13-9-15(27-3-1-2-16(27)28)25-17(24-13)26-4-6-29-7-5-26/h8-10H,1-7H2,(H2,22,23)
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| InChIKey |
ISOZCNIBAGADHL-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