General Information of the Compound
Compound ID |
CP0965788
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Compound Name |
3-((6-(trifluoromethyl)pyridin-3-yloxy)methyl)benzoic acid
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Structure |
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Formula |
C14H10F3NO3
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Molecular Weight |
297.232
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Canonical SMILES |
O=C(O)c1cccc(COc2ccc(C(F)(F)F)nc2)c1
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InChI |
InChI=1S/C14H10F3NO3/c15-14(16,17)12-5-4-11(7-18-12)21-8-9-2-1-3-10(6-9)13(19)20/h1-7H,8H2,(H,19,20)
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InChIKey |
RFCKKBPDUWGNKU-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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