General Information of the Compound
| Compound ID |
CP0452621
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| Compound Name |
2,2-dimethyl-5-(4-phenoxyphenoxy)pentanoic acid
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| Structure |
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| Formula |
C19H22O4
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| Molecular Weight |
314.381
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| Canonical SMILES |
CC(C)(CCCOc1ccc(Oc2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C19H22O4/c1-19(2,18(20)21)13-6-14-22-15-9-11-17(12-10-15)23-16-7-4-3-5-8-16/h3-5,7-12H,6,13-14H2,1-2H3,(H,20,21)
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| InChIKey |
WKDYWFYYJXEQNF-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