General Information of the Compound
| Compound ID |
CP0554084
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| Compound Name |
2-[5-fluoro-2-methyl-3-[[6-oxo-1-(4,4,4-trifluorobutyl)pyridin-3-yl]methyl]indol-1-yl]acetic acid
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| Structure |
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| Formula |
C21H20F4N2O3
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| Molecular Weight |
424.394
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| Canonical SMILES |
Cc1c(Cc2ccc(=O)n(CCCC(F)(F)F)c2)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C21H20F4N2O3/c1-13-16(17-10-15(22)4-5-18(17)27(13)12-20(29)30)9-14-3-6-19(28)26(11-14)8-2-7-21(23,24)25/h3-6,10-11H,2,7-9,12H2,1H3,(H,29,30)
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| InChIKey |
AOSPJIRCOAPBCN-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