General Information of the Compound
| Compound ID |
CP0506094
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| Compound Name |
2-[4-chloro-2-[2-[5-(dimethylsulfamoyl)-2-fluorophenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C18H15ClFNO5S
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| Molecular Weight |
411.838
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C18H15ClFNO5S/c1-21(2)27(24,25)15-6-7-16(20)12(10-15)3-4-13-9-14(19)5-8-17(13)26-11-18(22)23/h5-10H,11H2,1-2H3,(H,22,23)
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| InChIKey |
XKFIKOFJKWOTPJ-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