General Information of the Compound
| Compound ID |
CP0317536
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| Compound Name |
2-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-yl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C17H18N4O3
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| Molecular Weight |
326.356
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| Canonical SMILES |
Cc1ccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1
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| InChI |
InChI=1S/C17H18N4O3/c1-11-2-3-13-12(8-11)18-17(24-13)9-14-19-15(10-16(22)20-14)21-4-6-23-7-5-21/h2-3,8,10H,4-7,9H2,1H3,(H,19,20,22)
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| InChIKey |
XZBVIEKQPTYQHU-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