General Information of the Compound
| Compound ID |
CP0958909
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| Compound Name |
3-((2,4-dichloro-6-methylphenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C15H12Cl2O3
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| Molecular Weight |
311.164
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| Canonical SMILES |
Cc1cc(Cl)cc(Cl)c1OCc1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C15H12Cl2O3/c1-9-5-12(16)7-13(17)14(9)20-8-10-3-2-4-11(6-10)15(18)19/h2-7H,8H2,1H3,(H,18,19)
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| InChIKey |
VMWOCTGPYZQSQM-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