General Information of the Compound
| Compound ID |
CP0082015
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| Compound Name |
3-(dibutylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
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| Structure |
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| Formula |
C25H38N2O
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| Molecular Weight |
382.592
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| Canonical SMILES |
CCCCN(CCCC)c1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O
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| InChI |
InChI=1S/C25H38N2O/c1-7-10-12-27(13-11-8-2)24-23(22(9-3)20(6)26-25(24)28)17-21-15-18(4)14-19(5)16-21/h14-16H,7-13,17H2,1-6H3,(H,26,28)
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| InChIKey |
GOENZKDNZFYFSA-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