General Information of the Compound
| Compound ID |
CP0487767
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| Compound Name |
3-[5-[[3-(2,6-dimethylphenyl)phenoxy]methyl]thiophen-2-yl]propanoic acid
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| Structure |
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| Formula |
C22H22O3S
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| Molecular Weight |
366.482
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(OCc2ccc(CCC(O)=O)s2)c1
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| InChI |
InChI=1S/C22H22O3S/c1-15-5-3-6-16(2)22(15)17-7-4-8-18(13-17)25-14-20-10-9-19(26-20)11-12-21(23)24/h3-10,13H,11-12,14H2,1-2H3,(H,23,24)
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| InChIKey |
XJLBHAVBCXJGHM-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