General Information of the Compound
| Compound ID |
CP0559594
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| Compound Name |
3-chloro-N-(1-oxy-3',4',5',6'-tetrhydro-2'H-[2,4'-bipyridine]-1'ylmethyl)-4-trifluoromethylbenzamide
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| Structure |
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| Formula |
C19H19ClF3N3O3
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| Molecular Weight |
429.826
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| Canonical SMILES |
[O-][n+]1ccccc1C1CCN(CNC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C19H19ClF3N3O3/c20-15-11-14(4-5-17(15)29-19(21,22)23)18(27)24-12-25-9-6-13(7-10-25)16-3-1-2-8-26(16)28/h1-5,8,11,13H,6-7,9-10,12H2,(H,24,27)
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| InChIKey |
LVEQBMOMLJYAIK-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