General Information of the Compound
| Compound ID |
CP0322764
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| Compound Name |
4-morpholin-4-yl-2-[(4-pyridin-3-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)-c2cccnc2)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C21H19N5O3/c27-19-12-18(26-7-9-28-10-8-26)23-17(24-19)11-20-25-21-15(4-1-5-16(21)29-20)14-3-2-6-22-13-14/h1-6,12-13H,7-11H2,(H,23,24,27)
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| InChIKey |
REKLOBZOKMODQD-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