General Information of the Compound
| Compound ID |
CP0461571
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| Compound Name |
2-(difluoromethyl)-3-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-7-methoxy-N,N-dimethylbenzimidazol-5-amine
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| Structure |
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| Formula |
C22H28F2N8O3
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| Molecular Weight |
490.515
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| Canonical SMILES |
COc1cc(cc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)N(C)C
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| InChI |
InChI=1S/C22H28F2N8O3/c1-29(2)14-12-15-17(16(13-14)33-3)25-19(18(23)24)32(15)22-27-20(30-4-8-34-9-5-30)26-21(28-22)31-6-10-35-11-7-31/h12-13,18H,4-11H2,1-3H3
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| InChIKey |
AAJJPPFJEBWFIA-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