General Information of the Compound
| Compound ID |
CP0528491
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| Compound Name |
6-chloro-N-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1'-ylmethyl)nicotinamide
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| Structure |
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| Formula |
C17H19ClN4O2
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| Molecular Weight |
346.818
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| Canonical SMILES |
[O-][n+]1ccccc1C1CCN(CNC(=O)c2cnccc2Cl)CC1
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| InChI |
InChI=1S/C17H19ClN4O2/c18-15-4-7-19-11-14(15)17(23)20-12-21-9-5-13(6-10-21)16-3-1-2-8-22(16)24/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,20,23)
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| InChIKey |
IYGUDGGOAHOKIB-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