General Information of the Compound
| Compound ID |
CP0191321
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| Compound Name |
4-[2-[(6-methoxypyridin-3-yl)amino]-5-(6-methylpyridin-3-yl)pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C21H20N8O
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| Molecular Weight |
400.446
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| Canonical SMILES |
COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)-c2ccc(C)nc2)cn1
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| InChI |
InChI=1S/C21H20N8O/c1-12-4-5-14(9-23-12)15-8-17(20-26-13(2)27-21(22)29-20)19(25-10-15)28-16-6-7-18(30-3)24-11-16/h4-11H,1-3H3,(H,25,28)(H2,22,26,27,29)
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| InChIKey |
LJLOTRKTBODGRQ-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