General Information of the Compound
| Compound ID |
CP0400731
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| Compound Name |
3-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]benzoic acid
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| Structure |
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| Formula |
C25H30O6
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| Molecular Weight |
426.509
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| Canonical SMILES |
Cc1c(O)c(ccc1OCCCCOc1cccc(c1)C(O)=O)C(=O)CC1CCCC1
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| InChI |
InChI=1S/C25H30O6/c1-17-23(12-11-21(24(17)27)22(26)15-18-7-2-3-8-18)31-14-5-4-13-30-20-10-6-9-19(16-20)25(28)29/h6,9-12,16,18,27H,2-5,7-8,13-15H2,1H3,(H,28,29)
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| InChIKey |
UUGVIOPJBPICMU-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