General Information of the Compound
| Compound ID |
CP0720957
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| Compound Name |
2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)ethyl)-N-(2-(dimethylamino)ethyl)-6-fluoro-3-(2-pyridinyl)-4-quinolinecarboxamide
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| Structure |
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| Formula |
C25H24FN9O
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| Molecular Weight |
485.527
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| Canonical SMILES |
CNCCNC(=O)c1c(-c2ccccn2)c([C@H](C)Nc2ncnc(N)c2C#N)nc2ccc(F)cc12
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| InChI |
InChI=1S/C25H24FN9O/c1-14(34-24-17(12-27)23(28)32-13-33-24)22-21(19-5-3-4-8-30-19)20(25(36)31-10-9-29-2)16-11-15(26)6-7-18(16)35-22/h3-8,11,13-14,29H,9-10H2,1-2H3,(H,31,36)(H3,28,32,33,34)/t14-/m0/s1
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| InChIKey |
XGWXHMIKUSFVER-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