General Information of the Compound
| Compound ID |
CP0525014
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| Compound Name |
2-[2-[2-(2-tert-butyl-1,1,3-trioxo-1,2-benzothiazol-6-yl)ethynyl]-4-chlorophenoxy]acetic acid
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| Structure |
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| Formula |
C21H18ClNO6S
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| Molecular Weight |
447.896
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| Canonical SMILES |
CC(C)(C)N1C(=O)c2ccc(cc2S1(=O)=O)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C21H18ClNO6S/c1-21(2,3)23-20(26)16-8-5-13(10-18(16)30(23,27)28)4-6-14-11-15(22)7-9-17(14)29-12-19(24)25/h5,7-11H,12H2,1-3H3,(H,24,25)
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| InChIKey |
OFHUFGUYCYOMLO-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