General Information of the Compound
| Compound ID |
CP0499935
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| Compound Name |
4-methyl-N-(1-oxy-3',4',5',6'-tetrahydro-2-H-[2,4'-bipyridine]-1'-ylmethyl)-3-trifluoromethylbenzamide
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| Structure |
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| Formula |
C20H22F3N3O2
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| Molecular Weight |
393.409
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| Canonical SMILES |
Cc1ccc(cc1C(F)(F)F)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
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| InChI |
InChI=1S/C20H22F3N3O2/c1-14-5-6-16(12-17(14)20(21,22)23)19(27)24-13-25-10-7-15(8-11-25)18-4-2-3-9-26(18)28/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,24,27)
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| InChIKey |
YMVZMGBAIVJFFD-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