General Information of the Compound
| Compound ID |
CP0158455
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| Compound Name |
2-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]-methylamino]acetonitrile
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| Structure |
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| Formula |
C19H23N3O
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| Molecular Weight |
309.413
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(N(C)CC#N)c1Cc1cccc(C)c1
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| InChI |
InChI=1S/C19H23N3O/c1-5-16-14(3)21-19(23)18(22(4)10-9-20)17(16)12-15-8-6-7-13(2)11-15/h6-8,11H,5,10,12H2,1-4H3,(H,21,23)
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| InChIKey |
BTAYUWNJKKALGC-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