General Information of the Compound
| Compound ID |
CP0952933
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| Compound Name |
(S)-2-(1-((9H-Purin-6-yl)amino)ethyl)-6-methyl-3-phenyl-4H-quinolizin-4-one
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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 |
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)c(-c3ccccc3)c(=O)n12
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| InChI |
InChI=1S/C23H20N6O/c1-14-7-6-10-17-11-18(19(23(30)29(14)17)16-8-4-3-5-9-16)15(2)28-22-20-21(25-12-24-20)26-13-27-22/h3-13,15H,1-2H3,(H2,24,25,26,27,28)/t15-/m0/s1
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| InChIKey |
PIVREMBQLLCOLN-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: 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