General Information of the Compound
| Compound ID |
CP0397307
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| Compound Name |
5-[4-[4-(3,3-dimethylbutanoyl)-3-hydroxy-2-methylphenoxy]butoxy]-2-fluorobenzoic acid
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| Structure |
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| Formula |
C24H29FO6
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| Molecular Weight |
432.488
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| Canonical SMILES |
Cc1c(O)c(ccc1OCCCCOc1ccc(F)c(c1)C(O)=O)C(=O)CC(C)(C)C
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| InChI |
InChI=1S/C24H29FO6/c1-15-21(10-8-17(22(15)27)20(26)14-24(2,3)4)31-12-6-5-11-30-16-7-9-19(25)18(13-16)23(28)29/h7-10,13,27H,5-6,11-12,14H2,1-4H3,(H,28,29)
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| InChIKey |
CWZPRSAZWABAER-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