General Information of the Compound
| Compound ID |
CP0882661
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| Compound Name |
3-((2,3,4-trichlorophenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C14H9Cl3O3
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| Molecular Weight |
331.582
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| Canonical SMILES |
O=C(O)c1cccc(COc2ccc(Cl)c(Cl)c2Cl)c1
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| InChI |
InChI=1S/C14H9Cl3O3/c15-10-4-5-11(13(17)12(10)16)20-7-8-2-1-3-9(6-8)14(18)19/h1-6H,7H2,(H,18,19)
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| InChIKey |
BWVVXJGGTAVJTR-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
Protein ID: PT06353, Mas-related G-protein coupled receptor member X4