General Information of the Compound
| Compound ID |
CP0868770
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| Compound Name |
6-((4-chloro-2-(trifluoromethyl)phenoxy)methyl)picolinic acid
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| Structure |
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| Formula |
C14H9ClF3NO3
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| Molecular Weight |
331.677
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| Canonical SMILES |
O=C(O)c1cccc(COc2ccc(Cl)cc2C(F)(F)F)n1
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| InChI |
InChI=1S/C14H9ClF3NO3/c15-8-4-5-12(10(6-8)14(16,17)18)22-7-9-2-1-3-11(19-9)13(20)21/h1-6H,7H2,(H,20,21)
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| InChIKey |
GRBXPEMNWYLEBF-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