General Information of the Compound
| Compound ID |
CP0377671
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| Compound Name |
2-[4-(4-butanoyl-3-hydroxy-2-methylphenoxy)butoxy]-3-methoxybenzoic acid
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| Structure |
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| Formula |
C23H28O7
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| Molecular Weight |
416.47
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| Canonical SMILES |
CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(O)=O)c(C)c1O
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| InChI |
InChI=1S/C23H28O7/c1-4-8-18(24)16-11-12-19(15(2)21(16)25)29-13-5-6-14-30-22-17(23(26)27)9-7-10-20(22)28-3/h7,9-12,25H,4-6,8,13-14H2,1-3H3,(H,26,27)
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| InChIKey |
JUJXMFHCVVWQIP-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT03263, Metabotropic glutamate receptor 3
Protein ID: PT02446, Metabotropic glutamate receptor 4