General Information of the Compound
| Compound ID |
CP0453677
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| Compound Name |
1'-(1H-benzimidazol-2-ylmethyl)-1',2',3',4',5',6'-hexahydro-[2,4'-bipyridine] 1-oxide
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| Structure |
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| Formula |
C18H20N4O
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| Molecular Weight |
308.385
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| Canonical SMILES |
[O-][n+]1ccccc1C1CCN(Cc2nc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C18H20N4O/c23-22-10-4-3-7-17(22)14-8-11-21(12-9-14)13-18-19-15-5-1-2-6-16(15)20-18/h1-7,10,14H,8-9,11-13H2,(H,19,20)
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| InChIKey |
ZVQFIPZZZFFFAW-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