General Information of the Compound
| Compound ID |
CP0576738
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| Compound Name |
2-amino-5-[6-[2-(2-hydroxyethyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile
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| Structure |
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| Formula |
C20H25N7O3
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| Molecular Weight |
411.466
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| Canonical SMILES |
Nc1cc(C#N)c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOC(CCO)C1
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| InChI |
InChI=1S/C20H25N7O3/c21-11-14-9-18(22)23-12-16(14)17-10-19(27-4-8-30-15(13-27)1-5-28)25-20(24-17)26-2-6-29-7-3-26/h9-10,12,15,28H,1-8,13H2,(H2,22,23)
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| InChIKey |
BAXGOTAGIFYOFF-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