General Information of the Compound
| Compound ID |
CP0467171
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| Compound Name |
(4'-cyano-3'-trifluoromethyl-biphenyl-2-yloxy)-acetic acid methyl ester
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| Structure |
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| Formula |
C17H12F3NO3
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| Molecular Weight |
335.281
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| Canonical SMILES |
COC(=O)COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H12F3NO3/c1-23-16(22)10-24-15-5-3-2-4-13(15)11-6-7-12(9-21)14(8-11)17(18,19)20/h2-8H,10H2,1H3
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| InChIKey |
NFSJBQGNYKVHFL-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