General Information of the Compound
| Compound ID |
CP0341819
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| Compound Name |
4-morpholin-4-yl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C17H16F3N5O2
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| Molecular Weight |
379.342
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| Canonical SMILES |
FC(F)(F)c1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)[nH]c2c1
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| InChI |
InChI=1S/C17H16F3N5O2/c18-17(19,20)10-1-2-11-12(7-10)22-13(21-11)8-14-23-15(9-16(26)24-14)25-3-5-27-6-4-25/h1-2,7,9H,3-6,8H2,(H,21,22)(H,23,24,26)
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| InChIKey |
WVVBTZOIMQEYLX-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