General Information of the Compound
| Compound ID |
CP0433860
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| Compound Name |
2-[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(ccc1OCCCCOc1ccccc1C(O)=O)C(=O)CC1CCCC1
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| InChI |
InChI=1S/C25H30O6/c1-17-22(13-12-19(24(17)27)21(26)16-18-8-2-3-9-18)30-14-6-7-15-31-23-11-5-4-10-20(23)25(28)29/h4-5,10-13,18,27H,2-3,6-9,14-16H2,1H3,(H,28,29)
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| InChIKey |
BEUNEJBKONPURI-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