General Information of the Compound
| Compound ID |
CP0513032
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| Compound Name |
3-(4-{[3-(4-Methylphenoxy)benzyl]oxy}phenyl)propanoic Acid
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| Structure |
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| Formula |
C23H22O4
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| Molecular Weight |
362.425
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| Canonical SMILES |
Cc1ccc(Oc2cccc(COc3ccc(CCC(O)=O)cc3)c2)cc1
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| InChI |
InChI=1S/C23H22O4/c1-17-5-10-21(11-6-17)27-22-4-2-3-19(15-22)16-26-20-12-7-18(8-13-20)9-14-23(24)25/h2-8,10-13,15H,9,14,16H2,1H3,(H,24,25)
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| InChIKey |
YGTXIDYNUWGONS-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