General Information of the Compound
| Compound ID |
CP0478380
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| Compound Name |
3-[4-[[2-(4-ethylphenyl)pyrazol-3-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C23H26N2O3
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| Molecular Weight |
378.472
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| Canonical SMILES |
CCc1ccc(cc1)-n1nccc1COc1ccc(CCC(O)=O)c(C)c1C
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| InChI |
InChI=1S/C23H26N2O3/c1-4-18-5-9-20(10-6-18)25-21(13-14-24-25)15-28-22-11-7-19(8-12-23(26)27)16(2)17(22)3/h5-7,9-11,13-14H,4,8,12,15H2,1-3H3,(H,26,27)
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| InChIKey |
HYYKTJKKYLOCRT-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