General Information of the Compound
| Compound ID |
CP0443155
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| Compound Name |
2-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]benzoic acid
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| Structure |
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| Formula |
C26H32O5
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| Molecular Weight |
424.537
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| Canonical SMILES |
Cc1c(C)c(ccc1OCCCCOc1ccccc1C(O)=O)C(=O)CC1CCCC1
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| InChI |
InChI=1S/C26H32O5/c1-18-19(2)24(14-13-21(18)23(27)17-20-9-3-4-10-20)30-15-7-8-16-31-25-12-6-5-11-22(25)26(28)29/h5-6,11-14,20H,3-4,7-10,15-17H2,1-2H3,(H,28,29)
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| InChIKey |
FEUQJCOEWPDNTP-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