General Information of the Compound
| Compound ID |
CP0362462
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| Compound Name |
2-[(1-ethylbenzimidazol-2-yl)methyl]-4-morpholin-4-yl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C18H21N5O2
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| Molecular Weight |
339.399
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| Canonical SMILES |
CCn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccccc12
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| InChI |
InChI=1S/C18H21N5O2/c1-2-23-14-6-4-3-5-13(14)19-17(23)11-15-20-16(12-18(24)21-15)22-7-9-25-10-8-22/h3-6,12H,2,7-11H2,1H3,(H,20,21,24)
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| InChIKey |
HDOZVDVCQITIFE-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