General Information of the Compound
Compound ID |
CP0431606
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Compound Name |
3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid
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Structure |
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Formula |
C19H20O4
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Molecular Weight |
312.365
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Canonical SMILES |
COc1ccc(COc2ccc(cc2)C(CC(O)=O)C=C)cc1
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InChI |
InChI=1S/C19H20O4/c1-3-15(12-19(20)21)16-6-10-18(11-7-16)23-13-14-4-8-17(22-2)9-5-14/h3-11,15H,1,12-13H2,2H3,(H,20,21)
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InChIKey |
JOXBBRNZEQLISN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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