General Information of the Compound
| Compound ID |
CP0360268
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| Compound Name |
4-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]-methylamino]butanenitrile
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| Structure |
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| Formula |
C21H27N3O
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| Molecular Weight |
337.467
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(N(C)CCCC#N)c1Cc1cccc(C)c1
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| InChI |
InChI=1S/C21H27N3O/c1-5-18-16(3)23-21(25)20(24(4)12-7-6-11-22)19(18)14-17-10-8-9-15(2)13-17/h8-10,13H,5-7,12,14H2,1-4H3,(H,23,25)
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| InChIKey |
DPMNJGIGYUPXKX-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