General Information of the Compound
| Compound ID |
CP0501278
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| Compound Name |
2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]amino]acetic acid
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| Structure |
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| Formula |
C26H20FN3O3
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| Molecular Weight |
441.462
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| Canonical SMILES |
CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NCC(O)=O)c1C#N
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| InChI |
InChI=1S/C26H20FN3O3/c1-2-33-23-6-4-3-5-19(23)16-7-9-17(10-8-16)25-21(14-28)26(29-15-24(31)32)20-13-18(27)11-12-22(20)30-25/h3-13H,2,15H2,1H3,(H,29,30)(H,31,32)
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| InChIKey |
BIQBTSGPKAVRDG-UHFFFAOYSA-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