General Information of the Compound
| Compound ID |
CP0053343
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| Compound Name |
4-amino-6-[[(1S)-1-(6-fluoro-3,4-dipyridin-2-ylquinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C26H19FN8
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| Molecular Weight |
462.492
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccn1
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| InChI |
InChI=1S/C26H19FN8/c1-15(34-26-18(13-28)25(29)32-14-33-26)24-23(21-7-3-5-11-31-21)22(20-6-2-4-10-30-20)17-12-16(27)8-9-19(17)35-24/h2-12,14-15H,1H3,(H3,29,32,33,34)/t15-/m0/s1
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| InChIKey |
OVNJQHQYLGJGEB-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
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform