General Information of the Compound
| Compound ID |
CP0559062
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| Compound Name |
3-[4-[[2-(4-chlorophenyl)phenyl]methoxy]-2,3-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C24H23ClO3
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| Molecular Weight |
394.898
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| Canonical SMILES |
Cc1c(C)c(OCc2ccccc2-c2ccc(Cl)cc2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C24H23ClO3/c1-16-17(2)23(13-9-18(16)10-14-24(26)27)28-15-20-5-3-4-6-22(20)19-7-11-21(25)12-8-19/h3-9,11-13H,10,14-15H2,1-2H3,(H,26,27)
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| InChIKey |
YTCOIYVAGMORHB-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