General Information of the Compound
| Compound ID |
CP0574440
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| Compound Name |
2-[[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-3-phenylpropan-1-ol
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| Structure |
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| Formula |
C23H25F3N6O2
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| Molecular Weight |
474.487
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| Canonical SMILES |
Nc1cc(c(cn1)-c1cc(NC(CO)Cc2ccccc2)nc(n1)N1CCOCC1)C(F)(F)F
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| InChI |
InChI=1S/C23H25F3N6O2/c24-23(25,26)18-11-20(27)28-13-17(18)19-12-21(31-22(30-19)32-6-8-34-9-7-32)29-16(14-33)10-15-4-2-1-3-5-15/h1-5,11-13,16,33H,6-10,14H2,(H2,27,28)(H,29,30,31)
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| InChIKey |
WEUTVUGITJRHGR-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