General Information of the Compound
| Compound ID |
CP0567118
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| Compound Name |
2-[6-[[3-(3-methylthiophen-2-yl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C22H20O4S
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| Molecular Weight |
380.465
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| Canonical SMILES |
Cc1ccsc1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
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| InChI |
InChI=1S/C22H20O4S/c1-14-7-8-27-22(14)16-4-2-3-15(9-16)12-25-18-5-6-19-17(10-21(23)24)13-26-20(19)11-18/h2-9,11,17H,10,12-13H2,1H3,(H,23,24)
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| InChIKey |
KERWKHOQHZMPGT-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