General Information of the Compound
| Compound ID |
CP0489809
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| Compound Name |
3-[4-(2,4-dichlorophenoxy)phenyl]butanoic acid
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| Structure |
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| Formula |
C16H14Cl2O3
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| Molecular Weight |
325.191
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| Canonical SMILES |
CC(CC(O)=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
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| InChI |
InChI=1S/C16H14Cl2O3/c1-10(8-16(19)20)11-2-5-13(6-3-11)21-15-7-4-12(17)9-14(15)18/h2-7,9-10H,8H2,1H3,(H,19,20)
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| InChIKey |
GUUJYCWYHBMJMJ-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