General Information of the Compound
| Compound ID |
CP0515480
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| Compound Name |
1-butyl-4-[3-chloro-4-(2,6-dimethylpyridin-3-yl)oxyphenyl]-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C23H22ClN3O2
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| Molecular Weight |
407.901
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| Canonical SMILES |
CCCCn1ccc(-c2ccc(Oc3ccc(C)nc3C)c(Cl)c2)c(C#N)c1=O
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| InChI |
InChI=1S/C23H22ClN3O2/c1-4-5-11-27-12-10-18(19(14-25)23(27)28)17-7-9-22(20(24)13-17)29-21-8-6-15(2)26-16(21)3/h6-10,12-13H,4-5,11H2,1-3H3
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| InChIKey |
GFOXRHHIZPAJAL-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