General Information of the Compound
| Compound ID |
CP0443088
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| Compound Name |
4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]-3-fluorobenzoic acid
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| Structure |
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| Formula |
C25H29FO6
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| Molecular Weight |
444.499
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| Canonical SMILES |
Cc1c(O)c(ccc1OCCCCOc1ccc(cc1F)C(O)=O)C(=O)CC1CCCC1
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| InChI |
InChI=1S/C25H29FO6/c1-16-22(11-9-19(24(16)28)21(27)14-17-6-2-3-7-17)31-12-4-5-13-32-23-10-8-18(25(29)30)15-20(23)26/h8-11,15,17,28H,2-7,12-14H2,1H3,(H,29,30)
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| InChIKey |
AHUPDZVGRGKGHK-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