General Information of the Compound
| Compound ID |
CP0167561
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| Compound Name |
7-phenyl-1-(4-(2,2,2-trifluoroacetyl)oxazol-2-yl)heptan-1-one
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| Structure |
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| Formula |
C18H18F3NO3
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| Molecular Weight |
353.34
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| Canonical SMILES |
FC(F)(F)C(=O)c1coc(n1)C(=O)CCCCCCc1ccccc1
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| InChI |
InChI=1S/C18H18F3NO3/c19-18(20,21)16(24)14-12-25-17(22-14)15(23)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
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| InChIKey |
FUTOJBWXHHVYGB-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