General Information of the Compound
| Compound ID |
CP0417053
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| Compound Name |
4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C15H13F3N2O
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| Molecular Weight |
294.276
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1C2CCC1CC(=O)C2
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| InChI |
InChI=1S/C15H13F3N2O/c16-15(17,18)14-7-12(2-1-9(14)8-19)20-10-3-4-11(20)6-13(21)5-10/h1-2,7,10-11H,3-6H2
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| InChIKey |
XNEZFNKTYYYIRH-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