General Information of the Compound
| Compound ID |
CP0431194
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| Compound Name |
N-(3-methylbutyl)-6-(2-phenylethynyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C19H20N2O
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| Molecular Weight |
292.382
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| Canonical SMILES |
CC(C)CCNC(=O)c1ccc(nc1)C#Cc1ccccc1
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| InChI |
InChI=1S/C19H20N2O/c1-15(2)12-13-20-19(22)17-9-11-18(21-14-17)10-8-16-6-4-3-5-7-16/h3-7,9,11,14-15H,12-13H2,1-2H3,(H,20,22)
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| InChIKey |
KZDMXBBHQXWFSQ-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