General Information of the Compound
| Compound ID |
CP0293940
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| Compound Name |
1-butyl-4-[3-fluoro-4-(2-methylpyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carbonitrile
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| Synonyms |
BDBM50383366
GTPL6320
PMID22364337C48
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| Structure |
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| Formula |
C22H20FN3O2
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| Molecular Weight |
377.419
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| Canonical SMILES |
CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)c(F)c2)c(C#N)c1=O
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| InChI |
InChI=1S/C22H20FN3O2/c1-3-4-10-26-11-8-18(19(14-24)22(26)27)16-5-6-21(20(23)13-16)28-17-7-9-25-15(2)12-17/h5-9,11-13H,3-4,10H2,1-2H3
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| InChIKey |
IPTWXMISVLTMAV-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
Clinical Information about the Compound