General Information of the Compound
| Compound ID |
CP0558062
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| Compound Name |
2-[5-fluoro-2-methyl-3-(6-oxo-1-propan-2-ylpyridin-3-yl)indol-1-yl]acetic acid
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| Structure |
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| Formula |
C19H19FN2O3
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| Molecular Weight |
342.37
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| Canonical SMILES |
CC(C)n1cc(ccc1=O)-c1c(C)n(CC(O)=O)c2ccc(F)cc12
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| InChI |
InChI=1S/C19H19FN2O3/c1-11(2)21-9-13(4-7-17(21)23)19-12(3)22(10-18(24)25)16-6-5-14(20)8-15(16)19/h4-9,11H,10H2,1-3H3,(H,24,25)
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| InChIKey |
DBYKEKHTYRIDQY-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