General Information of the Compound
| Compound ID |
CP0478379
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| Compound Name |
3-[4-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C22H22ClNO4
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| Molecular Weight |
399.874
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| Canonical SMILES |
Cc1onc(c1COc1ccc(CCC(O)=O)c(C)c1C)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H22ClNO4/c1-13-14(2)20(10-6-16(13)7-11-21(25)26)27-12-19-15(3)28-24-22(19)17-4-8-18(23)9-5-17/h4-6,8-10H,7,11-12H2,1-3H3,(H,25,26)
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| InChIKey |
WHVKAGKLTYSWFI-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