General Information of the Compound
| Compound ID |
CP0852659
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| Compound Name |
4-{[2-(4-Morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]methoxy}benzonitrile
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| Structure |
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| Formula |
C20H18N4O3
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| Molecular Weight |
362.389
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| Canonical SMILES |
N#Cc1ccc(OCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1
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| InChI |
InChI=1S/C20H18N4O3/c21-13-15-3-5-17(6-4-15)27-14-16-2-1-7-24-19(25)12-18(22-20(16)24)23-8-10-26-11-9-23/h1-7,12H,8-11,14H2
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| InChIKey |
SKFKHULZPJLBDI-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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform