General Information of the Compound
| Compound ID |
CP0401185
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| Compound Name |
7-(difluoromethyl)-6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-[1,3]dioxolo[4,5-e]benzimidazole
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| Structure |
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| Formula |
C20H21F2N7O4
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| Molecular Weight |
461.429
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| Canonical SMILES |
FC(F)c1nc2c3OCOc3ccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
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| InChI |
InChI=1S/C20H21F2N7O4/c21-16(22)17-23-14-12(1-2-13-15(14)33-11-32-13)29(17)20-25-18(27-3-7-30-8-4-27)24-19(26-20)28-5-9-31-10-6-28/h1-2,16H,3-11H2
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| InChIKey |
QNWXWQMMJOSJMU-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: PT03525, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform