General Information of the Compound
| Compound ID |
CP0502736
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| Compound Name |
3,5-dimethyl-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 |
C20H25N3O2
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| Molecular Weight |
339.439
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| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
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| InChI |
InChI=1S/C20H25N3O2/c1-15-11-16(2)13-18(12-15)20(24)21-14-22-9-6-17(7-10-22)19-5-3-4-8-23(19)25/h3-5,8,11-13,17H,6-7,9-10,14H2,1-2H3,(H,21,24)
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| InChIKey |
CDRAQANNDDQYBM-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