General Information of the Compound
| Compound ID |
CP0382143
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| Compound Name |
2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-quinolin-4-ylamino]-butyric acid
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| Structure |
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| Formula |
C28H24FN3O3
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| Molecular Weight |
469.516
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| Canonical SMILES |
CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(CC)C(O)=O)c1C#N
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| InChI |
InChI=1S/C28H24FN3O3/c1-3-23(28(33)34)31-27-21-15-19(29)13-14-24(21)32-26(22(27)16-30)18-11-9-17(10-12-18)20-7-5-6-8-25(20)35-4-2/h5-15,23H,3-4H2,1-2H3,(H,31,32)(H,33,34)
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| InChIKey |
CYYGJEUXNUKLNE-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