General Information of the Compound
| Compound ID |
CP0720960
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| Compound Name |
2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)ethyl)-6-fluoro-N-methyl-3-phenyl-4-quinolinecarboxamide
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| Structure |
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| Formula |
C24H20FN7O
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| Molecular Weight |
441.47
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| Canonical SMILES |
CNC(=O)c1c(-c2ccccc2)c([C@H](C)Nc2ncnc(N)c2C#N)nc2ccc(F)cc12
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| InChI |
InChI=1S/C24H20FN7O/c1-13(31-23-17(11-26)22(27)29-12-30-23)21-19(14-6-4-3-5-7-14)20(24(33)28-2)16-10-15(25)8-9-18(16)32-21/h3-10,12-13H,1-2H3,(H,28,33)(H3,27,29,30,31)/t13-/m0/s1
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| InChIKey |
DVAFBEJPVBOYJN-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: 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