General Information of the Compound
| Compound ID |
CP0339078
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| Compound Name |
N-cyclohexyl-N-methyl-4-(1-oxidopyridin-1-ium-3-yl)imidazole-1-carboxamide
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| Structure |
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| Formula |
C16H20N4O2
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| Molecular Weight |
300.362
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| Canonical SMILES |
CN(C1CCCCC1)C(=O)n1cnc(c1)-c1ccc[n+]([O-])c1
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| InChI |
InChI=1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3
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| InChIKey |
DOWVMJFBDGWVML-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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