General Information of the Compound
| Compound ID |
CP0459329
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| Compound Name |
2-[4-chloro-2-[2-[5-(ethylsulfamoyl)-2-methylphenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C19H18ClNO5S
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| Molecular Weight |
407.875
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| Canonical SMILES |
CCNS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C19H18ClNO5S/c1-3-21-27(24,25)17-8-4-13(2)14(11-17)5-6-15-10-16(20)7-9-18(15)26-12-19(22)23/h4,7-11,21H,3,12H2,1-2H3,(H,22,23)
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| InChIKey |
MZKDGZDOOBZZAM-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