General Information of the Compound
| Compound ID |
CP0461859
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| Compound Name |
3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C17H18O4
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| Molecular Weight |
286.327
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| Canonical SMILES |
COc1ccc(COc2ccc(CCC(O)=O)cc2)cc1
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| InChI |
InChI=1S/C17H18O4/c1-20-15-7-4-14(5-8-15)12-21-16-9-2-13(3-10-16)6-11-17(18)19/h2-5,7-10H,6,11-12H2,1H3,(H,18,19)
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| InChIKey |
QXHJAIWJXTWLDT-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