General Information of the Compound
| Compound ID |
CP0248388
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| Compound Name |
4-morpholin-4-yl-2-[(4-pyridin-2-yl-1,3-benzoxazol-2-yl)methyl]-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C21H19N5O3
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| Molecular Weight |
389.415
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| Canonical SMILES |
O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccn2)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C21H19N5O3/c27-19-13-18(26-8-10-28-11-9-26)23-17(24-19)12-20-25-21-14(4-3-6-16(21)29-20)15-5-1-2-7-22-15/h1-7,13H,8-12H2,(H,23,24,27)
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| InChIKey |
LOTXVNFTEONOCW-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
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform