General Information of the Compound
| Compound ID |
CP0545221
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| Compound Name |
2-[4-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C20H18ClNO6S
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| Molecular Weight |
435.885
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
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| InChI |
InChI=1S/C20H18ClNO6S/c1-12-20(13(2)28-22-12)14-3-8-18(21)15(9-14)10-27-16-4-6-17(7-5-16)29(25,26)11-19(23)24/h3-9H,10-11H2,1-2H3,(H,23,24)
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| InChIKey |
JPJIASMXGZCNIV-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