General Information of the Compound
| Compound ID |
CP0568133
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| Compound Name |
1-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-(2-hydroxyethyl)-3-methylurea
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| Structure |
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| Formula |
C18H22F3N7O3
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| Molecular Weight |
441.414
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| Canonical SMILES |
CNC(=O)N(CCO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
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| InChI |
InChI=1S/C18H22F3N7O3/c1-23-17(30)28(2-5-29)15-9-13(25-16(26-15)27-3-6-31-7-4-27)11-10-24-14(22)8-12(11)18(19,20)21/h8-10,29H,2-7H2,1H3,(H2,22,24)(H,23,30)
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| InChIKey |
TZOOJTPCLONHIL-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