General Information of the Compound
| Compound ID |
CP0377859
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| Compound Name |
3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C18H13ClF3NO3
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| Molecular Weight |
383.753
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| Canonical SMILES |
CC#CC(CC(O)=O)c1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1
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| InChI |
InChI=1S/C18H13ClF3NO3/c1-2-3-12(8-16(24)25)11-4-6-14(7-5-11)26-17-15(19)9-13(10-23-17)18(20,21)22/h4-7,9-10,12H,8H2,1H3,(H,24,25)
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| InChIKey |
KJKPJGXGFQYFKV-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: PT04613, Free fatty acid receptor 1
Protein ID: PT02793, Free fatty acid receptor 1