General Information of the Compound
| Compound ID |
CP0441388
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| Compound Name |
3-(4-{[3-(2-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 |
Cc1ccccc1Oc1cccc(COc2ccc(CCC(O)=O)cc2)c1
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| InChI |
InChI=1S/C23H22O4/c1-17-5-2-3-8-22(17)27-21-7-4-6-19(15-21)16-26-20-12-9-18(10-13-20)11-14-23(24)25/h2-10,12-13,15H,11,14,16H2,1H3,(H,24,25)
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| InChIKey |
VYRBIEVJQDCNPP-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