General Information of the Compound
| Compound ID |
CP0400876
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| Compound Name |
2-[4-chloro-2-[2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C20H20ClNO5S
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| Molecular Weight |
421.902
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| Canonical SMILES |
CC(C)NS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C20H20ClNO5S/c1-13(2)22-28(25,26)18-8-4-14(3)15(11-18)5-6-16-10-17(21)7-9-19(16)27-12-20(23)24/h4,7-11,13,22H,12H2,1-3H3,(H,23,24)
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| InChIKey |
LDVYBGWKYHWDHB-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