General Information of the Compound
| Compound ID |
CP0481739
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| Compound Name |
3-fluoro-4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]benzoic acid
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| Structure |
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| Formula |
C23H27FO6
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| Molecular Weight |
418.461
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| Canonical SMILES |
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2F)C(O)=O)c(C)c1O
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| InChI |
InChI=1S/C23H27FO6/c1-14(2)12-19(25)17-7-9-20(15(3)22(17)26)29-10-4-5-11-30-21-8-6-16(23(27)28)13-18(21)24/h6-9,13-14,26H,4-5,10-12H2,1-3H3,(H,27,28)
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| InChIKey |
XGADSIWWVNFIKN-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
Protein ID: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT03263, Metabotropic glutamate receptor 3