General Information of the Compound
| Compound ID |
CP0456483
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| Compound Name |
2-[4-chloro-2-[2-[5-(diethylsulfamoyl)-2-methylphenyl]ethynyl]phenoxy]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 |
CCN(CC)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C21H22ClNO5S/c1-4-23(5-2)29(26,27)19-10-6-15(3)16(13-19)7-8-17-12-18(22)9-11-20(17)28-14-21(24)25/h6,9-13H,4-5,14H2,1-3H3,(H,24,25)
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| InChIKey |
HJKDIWCXPIKFIC-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