General Information of the Compound
| Compound ID |
CP0452207
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| Compound Name |
methyl 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxypyridin-3-yl)amino]pyridin-3-yl]methyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C22H27N9O3
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| Molecular Weight |
465.518
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| Canonical SMILES |
COC(=O)N1CCN(Cc2cnc(Nc3ccc(OC)nc3)c(c2)-c2nc(C)nc(N)n2)CC1
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| InChI |
InChI=1S/C22H27N9O3/c1-14-26-20(29-21(23)27-14)17-10-15(13-30-6-8-31(9-7-30)22(32)34-3)11-25-19(17)28-16-4-5-18(33-2)24-12-16/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,28)(H2,23,26,27,29)
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| InChIKey |
AXHJCTAXCZSLFA-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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform