General Information of the Compound
| Compound ID |
CP0450656
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| Compound Name |
4-[4-(2,6-dimethylpyridin-3-yl)oxyphenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C24H25N3O2
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| Molecular Weight |
387.483
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| Canonical SMILES |
CC(C)CCn1ccc(-c2ccc(Oc3ccc(C)nc3C)cc2)c(C#N)c1=O
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| InChI |
InChI=1S/C24H25N3O2/c1-16(2)11-13-27-14-12-21(22(15-25)24(27)28)19-6-8-20(9-7-19)29-23-10-5-17(3)26-18(23)4/h5-10,12,14,16H,11,13H2,1-4H3
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| InChIKey |
UOBHJFUATAHTKA-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