General Information of the Compound
| Compound ID |
CP0382335
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| Compound Name |
3-cyano-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 |
C19H20N4O2
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| Molecular Weight |
336.395
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| Canonical SMILES |
[O-][n+]1ccccc1C1CCN(CNC(=O)c2cccc(c2)C#N)CC1
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| InChI |
InChI=1S/C19H20N4O2/c20-13-15-4-3-5-17(12-15)19(24)21-14-22-10-7-16(8-11-22)18-6-1-2-9-23(18)25/h1-6,9,12,16H,7-8,10-11,14H2,(H,21,24)
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| InChIKey |
MCZLHNBAUWKVFY-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