General Information of the Compound
| Compound ID |
CP0415874
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| Compound Name |
2-[4-[[3-(2-fluorophenyl)phenyl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C21H17FO5S
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| Molecular Weight |
400.427
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| Canonical SMILES |
OC(=O)CS(=O)(=O)c1ccc(OCc2cccc(c2)-c2ccccc2F)cc1
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| InChI |
InChI=1S/C21H17FO5S/c22-20-7-2-1-6-19(20)16-5-3-4-15(12-16)13-27-17-8-10-18(11-9-17)28(25,26)14-21(23)24/h1-12H,13-14H2,(H,23,24)
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| InChIKey |
CQJJXBNOLODWQE-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