General Information of the Compound
| Compound ID |
CP0567690
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| Compound Name |
1-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]propane-1,3-dione
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| Structure |
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| Formula |
C17H13F3O4
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| Molecular Weight |
338.281
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| Canonical SMILES |
COc1ccccc1C(=O)CC(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C17H13F3O4/c1-23-16-5-3-2-4-13(16)15(22)10-14(21)11-6-8-12(9-7-11)24-17(18,19)20/h2-9H,10H2,1H3
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| InChIKey |
NRJDBXJHZOYFKR-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