General Information of the Compound
| Compound ID |
CP0456484
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| Compound Name |
2-[4-chloro-2-[2-[2-methyl-5-[methyl(2-methylpropyl)sulfamoyl]phenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C22H24ClNO5S
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| Molecular Weight |
449.956
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| Canonical SMILES |
CC(C)CN(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C22H24ClNO5S/c1-15(2)13-24(4)30(27,28)20-9-5-16(3)17(12-20)6-7-18-11-19(23)8-10-21(18)29-14-22(25)26/h5,8-12,15H,13-14H2,1-4H3,(H,25,26)
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| InChIKey |
FLHYKWKPCUNUBQ-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