General Information of the Compound
| Compound ID |
CP0093691
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| Compound Name |
4-{3-[6-(3-5-Benzo[1,3]dioxolyl-5-thiophen-3-ylphenoxy)hexyl]-2-(2-carboxyethyl)phenoxy}butyric Acid
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| Synonyms |
RO5101576
Ro 5101576
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| Structure |
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| Formula |
C36H38O8S
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| Molecular Weight |
630.759
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| Canonical SMILES |
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccc3OCOc3c2)-c2ccsc2)c1CCC(O)=O
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| InChI |
InChI=1S/C36H38O8S/c37-35(38)10-6-17-42-32-9-5-8-25(31(32)12-14-36(39)40)7-3-1-2-4-16-41-30-20-28(19-29(21-30)27-15-18-45-23-27)26-11-13-33-34(22-26)44-24-43-33/h5,8-9,11,13,15,18-23H,1-4,6-7,10,12,14,16-17,24H2,(H,37,38)(H,39,40)
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| InChIKey |
SRPFDFNVILUDAI-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
Protein ID: PT01801, Leukotriene B4 receptor 1
Protein ID: PT05756, Leukotriene B4 receptor 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Clinical Information about the Compound