General Information of the Compound
| Compound ID |
CP0190800
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| Compound Name |
4-[4-[2-chloro-5-(1,3-thiazol-3-ium-3-yl)phenyl]phenoxy]butanoic acid
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| Structure |
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| Formula |
C19H17ClNO3S+
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| Molecular Weight |
374.869
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| Canonical SMILES |
OC(=O)CCCOc1ccc(cc1)-c1cc(ccc1Cl)-[n+]1ccsc1
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| InChI |
InChI=1S/C19H16ClNO3S/c20-18-8-5-15(21-9-11-25-13-21)12-17(18)14-3-6-16(7-4-14)24-10-1-2-19(22)23/h3-9,11-13H,1-2,10H2/p+1
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| InChIKey |
ZCDOYWLFSUMNLJ-UHFFFAOYSA-O
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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
Protein ID: PT03121, Free fatty acid receptor 4
Protein ID: PT04427, Free fatty acid receptor 4