General Information of the Compound
| Compound ID |
CP0313976
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| Compound Name |
4-[2-[(6-methoxypyridin-3-yl)amino]-5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C20H24N8O
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| Molecular Weight |
392.467
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| Canonical SMILES |
COc1ccc(Nc2ncc(CN3CCCC3)cc2-c2nc(C)nc(N)n2)cn1
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| InChI |
InChI=1S/C20H24N8O/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-7-3-4-8-28)10-23-18(16)26-15-5-6-17(29-2)22-11-15/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,23,26)(H2,21,24,25,27)
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| InChIKey |
KPKRMMWVCSAMKZ-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