General Information of the Compound
| Compound ID |
CP0401184
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| Compound Name |
2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-methylbenzimidazole-4-carboxamide
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| Structure |
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| Formula |
C21H24F2N8O3
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| Molecular Weight |
474.472
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| Canonical SMILES |
CNC(=O)c1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
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| InChI |
InChI=1S/C21H24F2N8O3/c1-24-18(32)13-3-2-4-14-15(13)25-17(16(22)23)31(14)21-27-19(29-5-9-33-10-6-29)26-20(28-21)30-7-11-34-12-8-30/h2-4,16H,5-12H2,1H3,(H,24,32)
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| InChIKey |
BFDFCPSCYMWBHG-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