General Information of the Compound
| Compound ID |
CP0385353
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| Compound Name |
1-(3-methylbutyl)-2-oxo-4-(4-pyridin-3-yloxyphenyl)pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
CC(C)CCn1ccc(-c2ccc(Oc3cccnc3)cc2)c(C#N)c1=O
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| InChI |
InChI=1S/C22H21N3O2/c1-16(2)9-12-25-13-10-20(21(14-23)22(25)26)17-5-7-18(8-6-17)27-19-4-3-11-24-15-19/h3-8,10-11,13,15-16H,9,12H2,1-2H3
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| InChIKey |
DNVFLOMQTUHBEF-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