General Information of the Compound
| Compound ID |
CP0417305
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| Compound Name |
2-[6-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C25H20O4S
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| Molecular Weight |
416.498
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| Canonical SMILES |
OC(=O)CC1COc2cc(OCc3cccc(c3)-c3csc4ccccc34)ccc12
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| InChI |
InChI=1S/C25H20O4S/c26-25(27)11-18-14-29-23-12-19(8-9-20(18)23)28-13-16-4-3-5-17(10-16)22-15-30-24-7-2-1-6-21(22)24/h1-10,12,15,18H,11,13-14H2,(H,26,27)
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| InChIKey |
BUMSVQQHHDPPGL-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: PT02522, Free fatty acid receptor 1