General Information of the Compound
| Compound ID |
CP0432585
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| Compound Name |
2-[2-[2-[5-(tert-butylsulfamoyl)-2-methylphenyl]ethynyl]-4-chlorophenoxy]acetic acid
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| Structure |
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| Formula |
C21H22ClNO5S
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| Molecular Weight |
435.929
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| Canonical SMILES |
Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)NC(C)(C)C
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| InChI |
InChI=1S/C21H22ClNO5S/c1-14-5-9-18(29(26,27)23-21(2,3)4)12-15(14)6-7-16-11-17(22)8-10-19(16)28-13-20(24)25/h5,8-12,23H,13H2,1-4H3,(H,24,25)
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| InChIKey |
LXZJEWGAMUTVAQ-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