General Information of the Compound
| Compound ID |
CP0735510
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| Compound Name |
4-Amino-6-(((1S)-1-(6-fluoro-4-((3-hydroxy-1-azetidinyl)-carbonyl)-3-phenyl-2-quinolinyl)ethyl)amino)-5-pyrimidinecarbonitrile
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| Structure |
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| Formula |
C26H22FN7O2
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| Molecular Weight |
483.507
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C(=O)N2CC(O)C2)c1-c1ccccc1
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| InChI |
InChI=1S/C26H22FN7O2/c1-14(32-25-19(10-28)24(29)30-13-31-25)23-21(15-5-3-2-4-6-15)22(26(36)34-11-17(35)12-34)18-9-16(27)7-8-20(18)33-23/h2-9,13-14,17,35H,11-12H2,1H3,(H3,29,30,31,32)/t14-/m0/s1
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| InChIKey |
MJMOCBPSVCEKPI-AWEZNQCLSA-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: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform