General Information of the Compound
| Compound ID |
CP0353655
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| Compound Name |
4-amino-6-[[(1S)-1-(6-methyl-4-oxo-3-phenylquinolizin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C23H20N6O
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| Molecular Weight |
396.454
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1cc2cccc(C)n2c(=O)c1-c1ccccc1
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| InChI |
InChI=1S/C23H20N6O/c1-14-7-6-10-17-11-18(15(2)28-22-19(12-24)21(25)26-13-27-22)20(23(30)29(14)17)16-8-4-3-5-9-16/h3-11,13,15H,1-2H3,(H3,25,26,27,28)/t15-/m0/s1
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| InChIKey |
DHRMGXHMRVDXMF-HNNXBMFYSA-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: 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: PT03071, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform