General Information of the Compound
| Compound ID |
CP0508078
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| Compound Name |
5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole
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| Structure |
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| Formula |
C18H12F4N4O2
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| Molecular Weight |
392.312
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| Canonical SMILES |
Fc1ccc(OC(F)(F)F)cc1-c1ccc2oc(CCc3nn[nH]n3)cc2c1
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| InChI |
InChI=1S/C18H12F4N4O2/c19-15-4-2-13(28-18(20,21)22)9-14(15)10-1-5-16-11(7-10)8-12(27-16)3-6-17-23-25-26-24-17/h1-2,4-5,7-9H,3,6H2,(H,23,24,25,26)
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| InChIKey |
OOKJDEWYOSGUHO-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: PT03121, Free fatty acid receptor 4
Protein ID: PT04427, Free fatty acid receptor 4