General Information of the Compound
| Compound ID |
CP0702721
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| Compound Name |
(S)-2-(1-((9H-Purin-6-yl)amino)ethyl)-7-fluoro-3-phenyl-4H-quinolizin-4-one
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| Structure |
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| Formula |
C22H17FN6O
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| Molecular Weight |
400.417
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| Canonical SMILES |
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1
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| InChI |
InChI=1S/C22H17FN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-9-16-8-7-15(23)10-29(16)22(30)18(17)14-5-3-2-4-6-14/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1
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| InChIKey |
QGHVFQKTEHYINV-ZDUSSCGKSA-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