General Information of the Compound
| Compound ID |
CP0390881
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| Compound Name |
3-(3-fluorophenyl)-2-[2-(trifluoromethyl)phenoxy]propanoic acid
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| Structure |
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| Formula |
C16H12F4O3
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| Molecular Weight |
328.261
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| Canonical SMILES |
OC(=O)C(Cc1cccc(F)c1)Oc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C16H12F4O3/c17-11-5-3-4-10(8-11)9-14(15(21)22)23-13-7-2-1-6-12(13)16(18,19)20/h1-8,14H,9H2,(H,21,22)
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| InChIKey |
DWBVWSKNXQOVIW-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