General Information of the Compound
| Compound ID |
CP0490946
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| Compound Name |
3-[4-[2-[2-(difluoromethyl)-5-fluorophenyl]ethynyl]-2-fluorophenyl]propanoic acid
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| Structure |
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| Formula |
C18H12F4O2
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| Molecular Weight |
336.284
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1F)C#Cc1cc(F)ccc1C(F)F
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| InChI |
InChI=1S/C18H12F4O2/c19-14-6-7-15(18(21)22)13(10-14)4-2-11-1-3-12(16(20)9-11)5-8-17(23)24/h1,3,6-7,9-10,18H,5,8H2,(H,23,24)
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| InChIKey |
NTIPATIJADYXAU-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: PT02793, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4