General Information of the Compound
| Compound ID |
CP0169941
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| Compound Name |
4-morpholin-4-yl-2-[(4-thiophen-2-yl-1,3-benzoxazol-2-yl)methyl]-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C20H18N4O3S
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| Molecular Weight |
394.456
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| Canonical SMILES |
O=c1cc(nc(Cc2nc3c(cccc3o2)-c2cccs2)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C20H18N4O3S/c25-18-12-17(24-6-8-26-9-7-24)21-16(22-18)11-19-23-20-13(15-5-2-10-28-15)3-1-4-14(20)27-19/h1-5,10,12H,6-9,11H2,(H,21,22,25)
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| InChIKey |
FPAPMCJELAEURQ-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