General Information of the Compound
| Compound ID |
CP0450649
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| Compound Name |
4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
CC(C)CCn1ccc(-c2ccc(OCC3CC3)cc2)c(C#N)c1=O
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| InChI |
InChI=1S/C21H24N2O2/c1-15(2)9-11-23-12-10-19(20(13-22)21(23)24)17-5-7-18(8-6-17)25-14-16-3-4-16/h5-8,10,12,15-16H,3-4,9,11,14H2,1-2H3
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| InChIKey |
CYOZSBJDLJUVSN-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