General Information of the Compound
| Compound ID |
CP0409595
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| Compound Name |
3-[4-(4-chloronaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoic acid
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| Structure |
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| Formula |
C21H19ClO4
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| Molecular Weight |
370.832
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| Canonical SMILES |
CCOC(CC(O)=O)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1
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| InChI |
InChI=1S/C21H19ClO4/c1-2-25-20(13-21(23)24)14-7-9-15(10-8-14)26-19-12-11-18(22)16-5-3-4-6-17(16)19/h3-12,20H,2,13H2,1H3,(H,23,24)
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| InChIKey |
SDBYHMMVUKTDNS-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