General Information of the Compound
| Compound ID |
CP0440735
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| Compound Name |
3-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]-4-methoxybenzoic acid
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| Structure |
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| Formula |
C24H30O7
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| Molecular Weight |
430.497
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| Canonical SMILES |
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C)C(O)=O
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| InChI |
InChI=1S/C24H30O7/c1-15(2)13-19(25)18-8-10-20(16(3)23(18)26)30-11-5-6-12-31-22-14-17(24(27)28)7-9-21(22)29-4/h7-10,14-15,26H,5-6,11-13H2,1-4H3,(H,27,28)
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| InChIKey |
TYYKQQMKUKSDJB-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