General Information of the Compound
| Compound ID |
CP0528121
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| Compound Name |
3-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-quinolin-4-ylamino]-propionic acid
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| Structure |
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| Formula |
C27H22FN3O3
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| Molecular Weight |
455.489
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| Canonical SMILES |
CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NCCC(O)=O)c1C#N
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| InChI |
InChI=1S/C27H22FN3O3/c1-2-34-24-6-4-3-5-20(24)17-7-9-18(10-8-17)26-22(16-29)27(30-14-13-25(32)33)21-15-19(28)11-12-23(21)31-26/h3-12,15H,2,13-14H2,1H3,(H,30,31)(H,32,33)
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| InChIKey |
KLJOAWKZRANTLD-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