General Information of the Compound
| Compound ID |
CP0383267
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| Compound Name |
3-[4-[4-(3,3-dimethylbutanoyl)-3-hydroxy-2-methylphenoxy]butoxy]-2-methylbenzoic acid
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| Structure |
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| Formula |
C25H32O6
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| Molecular Weight |
428.525
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| Canonical SMILES |
Cc1c(O)c(ccc1OCCCCOc1cccc(C(O)=O)c1C)C(=O)CC(C)(C)C
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| InChI |
InChI=1S/C25H32O6/c1-16-18(24(28)29)9-8-10-21(16)30-13-6-7-14-31-22-12-11-19(23(27)17(22)2)20(26)15-25(3,4)5/h8-12,27H,6-7,13-15H2,1-5H3,(H,28,29)
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| InChIKey |
AXCUOQYTJKESER-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