General Information of the Compound
| Compound ID |
CP0449472
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| Compound Name |
2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]-ethylamino]acetic 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(N(CC)CC(O)=O)c1C#N
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| InChI |
InChI=1S/C28H24FN3O3/c1-3-32(17-26(33)34)28-22-15-20(29)13-14-24(22)31-27(23(28)16-30)19-11-9-18(10-12-19)21-7-5-6-8-25(21)35-4-2/h5-15H,3-4,17H2,1-2H3,(H,33,34)
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| InChIKey |
IGUNQZNGHPVGOO-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