General Information of the Compound
| Compound ID |
CP0179036
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| Compound Name |
(3aR,8aR)-3-[4-nitro-2-(trifluoromethyl)phenyl]-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,2]oxazole
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| Structure |
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| Formula |
C15H15F3N2O3
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| Molecular Weight |
328.29
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| Canonical SMILES |
[O-][N+](=O)c1ccc(C2=NO[C@@H]3CCCCC[C@H]23)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C15H15F3N2O3/c16-15(17,18)12-8-9(20(21)22)6-7-10(12)14-11-4-2-1-3-5-13(11)23-19-14/h6-8,11,13H,1-5H2/t11-,13+/m0/s1
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| InChIKey |
YLOOXUHFJVFILH-WCQYABFASA-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