General Information of the Compound
| Compound ID |
CP0406707
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| Compound Name |
2-(3-cyano-3',4',5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1'-yl)-N-(m-tolyl)acetamide
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| Structure |
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| Formula |
C20H22N4O
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| Molecular Weight |
334.423
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| Canonical SMILES |
Cc1cccc(NC(=O)CN2CCC(CC2)c2cccc(n2)C#N)c1
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| InChI |
InChI=1S/C20H22N4O/c1-15-4-2-5-17(12-15)23-20(25)14-24-10-8-16(9-11-24)19-7-3-6-18(13-21)22-19/h2-7,12,16H,8-11,14H2,1H3,(H,23,25)
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| InChIKey |
DVXATEVHXAIZBB-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