General Information of the Compound
| Compound ID |
CP0462366
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| Compound Name |
N-(4-tert-butylphenyl)-1-(3-cyanopyridin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
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| Structure |
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| Formula |
C22H24N4O
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| Molecular Weight |
360.461
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)C2=CCN(CC2)c2ncccc2C#N)cc1
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| InChI |
InChI=1S/C22H24N4O/c1-22(2,3)18-6-8-19(9-7-18)25-21(27)16-10-13-26(14-11-16)20-17(15-23)5-4-12-24-20/h4-10,12H,11,13-14H2,1-3H3,(H,25,27)
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| InChIKey |
KRLDPRAMPYKNKA-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