General Information of the Compound
| Compound ID |
CP0391223
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| Compound Name |
2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazole-4-carbonitrile
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| Structure |
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| Formula |
C20H20F2N8O2
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| Molecular Weight |
442.43
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| Canonical SMILES |
FC(F)c1nc2c(cccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C#N
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| InChI |
InChI=1S/C20H20F2N8O2/c21-16(22)17-24-15-13(12-23)2-1-3-14(15)30(17)20-26-18(28-4-8-31-9-5-28)25-19(27-20)29-6-10-32-11-7-29/h1-3,16H,4-11H2
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| InChIKey |
RWTPCDKVABLMHM-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