General Information of the Compound
| Compound ID |
CP0146022
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| Compound Name |
3-(dibenzylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
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| Structure |
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| Formula |
C31H34N2O
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| Molecular Weight |
450.626
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(N(Cc2ccccc2)Cc2ccccc2)c1Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C31H34N2O/c1-5-28-24(4)32-31(34)30(29(28)19-27-17-22(2)16-23(3)18-27)33(20-25-12-8-6-9-13-25)21-26-14-10-7-11-15-26/h6-18H,5,19-21H2,1-4H3,(H,32,34)
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| InChIKey |
RRIWJWKQNKLHJR-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