General Information of the Compound
| Compound ID |
CP0465448
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| Compound Name |
3-(4-(2-chloro-4-(trifluoromethyl)phenoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C16H12ClF3O3
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| Molecular Weight |
344.716
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| Canonical SMILES |
OC(=O)CCc1ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc1
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| InChI |
InChI=1S/C16H12ClF3O3/c17-13-9-11(16(18,19)20)4-7-14(13)23-12-5-1-10(2-6-12)3-8-15(21)22/h1-2,4-7,9H,3,8H2,(H,21,22)
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| InChIKey |
MXQUVTBVVBEROT-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