General Information of the Compound
| Compound ID |
CP0499548
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| Compound Name |
3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid
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| Structure |
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| Formula |
C20H22O4
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| Molecular Weight |
326.392
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| Canonical SMILES |
COc1ccc(COc2ccc(cc2)C(CC(O)=O)=C(C)C)cc1
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| InChI |
InChI=1S/C20H22O4/c1-14(2)19(12-20(21)22)16-6-10-18(11-7-16)24-13-15-4-8-17(23-3)9-5-15/h4-11H,12-13H2,1-3H3,(H,21,22)
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| InChIKey |
ZPQXICKKNJQGBI-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