General Information of the Compound
| Compound ID |
CP0242686
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| Compound Name |
2-amino-4-[[(1S)-1-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)ethyl]amino]-6-methylpyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C23H19FN6O
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| Molecular Weight |
414.444
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| Canonical SMILES |
C[C@H](Nc1nc(N)nc(C)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1
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| InChI |
InChI=1S/C23H19FN6O/c1-13(27-21-19(11-25)14(2)28-23(26)29-21)18-10-17-9-8-16(24)12-30(17)22(31)20(18)15-6-4-3-5-7-15/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/m0/s1
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| InChIKey |
YYNGBTBSCVESON-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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform