General Information of the Compound
| Compound ID |
CP0483434
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| Compound Name |
3-[4-[[2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]oxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C26H25NO3S
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| Molecular Weight |
431.557
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| Canonical SMILES |
CC#CC(CC(O)=O)c1ccc(OC2CCCc3nc(sc23)-c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C26H25NO3S/c1-3-5-20(16-24(28)29)18-12-14-21(15-13-18)30-23-7-4-6-22-25(23)31-26(27-22)19-10-8-17(2)9-11-19/h8-15,20,23H,4,6-7,16H2,1-2H3,(H,28,29)
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| InChIKey |
RDGSLINMZIQBIF-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: PT02793, Free fatty acid receptor 1
Protein ID: PT04613, Free fatty acid receptor 1