General Information of the Compound
| Compound ID |
CP0453225
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| Compound Name |
3-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]-4-methylbenzoic acid
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| Structure |
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| Formula |
C26H32O6
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| Molecular Weight |
440.536
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| Canonical SMILES |
Cc1ccc(cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
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| InChI |
InChI=1S/C26H32O6/c1-17-9-10-20(26(29)30)16-24(17)32-14-6-5-13-31-23-12-11-21(25(28)18(23)2)22(27)15-19-7-3-4-8-19/h9-12,16,19,28H,3-8,13-15H2,1-2H3,(H,29,30)
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| InChIKey |
XCACYPAKNKDVCI-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