General Information of the Compound
| Compound ID |
CP0496383
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| Compound Name |
4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
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| Structure |
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| Formula |
C21H25F2N7O4
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| Molecular Weight |
477.472
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| Canonical SMILES |
COc1ccc2n(c(nc2c1OC)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
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| InChI |
InChI=1S/C21H25F2N7O4/c1-31-14-4-3-13-15(16(14)32-2)24-18(17(22)23)30(13)21-26-19(28-5-9-33-10-6-28)25-20(27-21)29-7-11-34-12-8-29/h3-4,17H,5-12H2,1-2H3
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| InChIKey |
XZCFLSVUEQRRCU-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