General Information of the Compound
| Compound ID |
CP0516620
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| Compound Name |
3-(4-{[3-(1,3-Thiazol-2-yl)benzyl]oxy}phenyl)propanoic Acid
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| Structure |
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| Formula |
C19H17NO3S
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| Molecular Weight |
339.416
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2cccc(c2)-c2nccs2)cc1
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| InChI |
InChI=1S/C19H17NO3S/c21-18(22)9-6-14-4-7-17(8-5-14)23-13-15-2-1-3-16(12-15)19-20-10-11-24-19/h1-5,7-8,10-12H,6,9,13H2,(H,21,22)
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| InChIKey |
JIOCCZBATKWFNI-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