General Information of the Compound
| Compound ID |
CP0087587
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| Compound Name |
[(3R)-1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxypyridin-3-yl)amino]pyridin-3-yl]methyl]pyrrolidin-3-yl]methanol
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| Structure |
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| Formula |
C21H26N8O2
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| Molecular Weight |
422.493
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| Canonical SMILES |
COc1ccc(Nc2ncc(CN3CC[C@@H](CO)C3)cc2-c2nc(C)nc(N)n2)cn1
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| InChI |
InChI=1S/C21H26N8O2/c1-13-25-20(28-21(22)26-13)17-7-15(11-29-6-5-14(10-29)12-30)8-24-19(17)27-16-3-4-18(31-2)23-9-16/h3-4,7-9,14,30H,5-6,10-12H2,1-2H3,(H,24,27)(H2,22,25,26,28)/t14-/m1/s1
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| InChIKey |
NOEYFOUOAVCIAX-CQSZACIVSA-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