General Information of the Compound
| Compound ID |
CP0443087
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| Compound Name |
3-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]-4-methylbenzoic acid
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| Structure |
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| Formula |
C24H30O6
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| Molecular Weight |
414.498
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| Canonical SMILES |
CC(C)CC(=O)c1ccc(OCCCCOc2cc(ccc2C)C(O)=O)c(C)c1O
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| InChI |
InChI=1S/C24H30O6/c1-15(2)13-20(25)19-9-10-21(17(4)23(19)26)29-11-5-6-12-30-22-14-18(24(27)28)8-7-16(22)3/h7-10,14-15,26H,5-6,11-13H2,1-4H3,(H,27,28)
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| InChIKey |
IXQOSACEYQVKSU-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