General Information of the Compound
| Compound ID |
CP0776505
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| Compound Name |
2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)ethyl)-6-fluoro-N-(2-(methylamino)ethyl)-3-phenyl-4-quinolinecarboxamide
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| Structure |
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| Formula |
C26H25FN8O
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| Molecular Weight |
484.539
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| Canonical SMILES |
CNCCNC(=O)c1c(-c2ccccc2)c([C@H](C)Nc2ncnc(N)c2C#N)nc2ccc(F)cc12
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| InChI |
InChI=1S/C26H25FN8O/c1-15(34-25-19(13-28)24(29)32-14-33-25)23-21(16-6-4-3-5-7-16)22(26(36)31-11-10-30-2)18-12-17(27)8-9-20(18)35-23/h3-9,12,14-15,30H,10-11H2,1-2H3,(H,31,36)(H3,29,32,33,34)/t15-/m0/s1
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| InChIKey |
YMHUMUWJNIVIFZ-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: 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