General Information of the Compound
| Compound ID |
CP0705621
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| Compound Name |
2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)ethyl)-6-fluoro-N,N-dimethyl-3-phenyl-4-quinolinecarboxamide
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| Structure |
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| Formula |
C25H22FN7O
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| Molecular Weight |
455.497
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C(=O)N(C)C)c1-c1ccccc1
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| InChI |
InChI=1S/C25H22FN7O/c1-14(31-24-18(12-27)23(28)29-13-30-24)22-20(15-7-5-4-6-8-15)21(25(34)33(2)3)17-11-16(26)9-10-19(17)32-22/h4-11,13-14H,1-3H3,(H3,28,29,30,31)/t14-/m0/s1
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| InChIKey |
QAQNQMULXMCHFA-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: 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