General Information of the Compound
Compound ID |
CP0523108
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Compound Name |
4-[3-chloro-4-(oxan-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
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Structure |
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Formula |
C22H25ClN2O3
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Molecular Weight |
400.906
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Canonical SMILES |
CC(C)CCn1ccc(-c2ccc(OC3CCOCC3)c(Cl)c2)c(C#N)c1=O
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InChI |
InChI=1S/C22H25ClN2O3/c1-15(2)5-9-25-10-6-18(19(14-24)22(25)26)16-3-4-21(20(23)13-16)28-17-7-11-27-12-8-17/h3-4,6,10,13,15,17H,5,7-9,11-12H2,1-2H3
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InChIKey |
GPOQREFLGKKRIR-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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