General Information of the Compound
| Compound ID |
CP0475131
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| Compound Name |
[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl] methanesulfonate
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| Structure |
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| Formula |
C20H23F2N7O5S
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| Molecular Weight |
511.511
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| Canonical SMILES |
CS(=O)(=O)Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
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| InChI |
InChI=1S/C20H23F2N7O5S/c1-35(30,31)34-14-4-2-3-13-15(14)23-17(16(21)22)29(13)20-25-18(27-5-9-32-10-6-27)24-19(26-20)28-7-11-33-12-8-28/h2-4,16H,5-12H2,1H3
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| InChIKey |
JJQMYNAWDZZLJE-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