General Information of the Compound
| Compound ID |
CP0468121
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| Compound Name |
3-[4-[2-(3,4-dichlorophenyl)ethoxy]phenyl]-3-ethoxypropanoic acid
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| Structure |
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| Formula |
C19H20Cl2O4
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| Molecular Weight |
383.271
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| Canonical SMILES |
CCOC(CC(O)=O)c1ccc(OCCc2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C19H20Cl2O4/c1-2-24-18(12-19(22)23)14-4-6-15(7-5-14)25-10-9-13-3-8-16(20)17(21)11-13/h3-8,11,18H,2,9-10,12H2,1H3,(H,22,23)
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| InChIKey |
YMCISQCSUVYNED-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