General Information of the Compound
| Compound ID |
CP0395004
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| Compound Name |
3-ethoxy-N-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1'-ylmethyl)benzamide
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| Structure |
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| Formula |
C20H25N3O3
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| Molecular Weight |
355.438
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| Canonical SMILES |
CCOc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
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| InChI |
InChI=1S/C20H25N3O3/c1-2-26-18-7-5-6-17(14-18)20(24)21-15-22-12-9-16(10-13-22)19-8-3-4-11-23(19)25/h3-8,11,14,16H,2,9-10,12-13,15H2,1H3,(H,21,24)
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| InChIKey |
HVRQNODQEAIUQA-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