General Information of the Compound
| Compound ID |
CP0191322
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| Compound Name |
4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxypyridin-3-yl)amino]pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C19H24N8O2
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| Molecular Weight |
396.455
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| Canonical SMILES |
COCCNCc1cnc(Nc2ccc(OC)nc2)c(c1)-c1nc(C)nc(N)n1
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| InChI |
InChI=1S/C19H24N8O2/c1-12-24-18(27-19(20)25-12)15-8-13(9-21-6-7-28-2)10-23-17(15)26-14-4-5-16(29-3)22-11-14/h4-5,8,10-11,21H,6-7,9H2,1-3H3,(H,23,26)(H2,20,24,25,27)
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| InChIKey |
JRWLTKDVIINVLC-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