General Information of the Compound
| Compound ID |
CP0382535
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| Compound Name |
2-[2-[2-(4-acetamido-2-methyl-5-propylsulfonylphenyl)ethynyl]-4-chlorophenoxy]acetic acid
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| Structure |
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| Formula |
C22H22ClNO6S
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| Molecular Weight |
463.939
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| Canonical SMILES |
CCCS(=O)(=O)c1cc(C#Cc2cc(Cl)ccc2OCC(O)=O)c(C)cc1NC(C)=O
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| InChI |
InChI=1S/C22H22ClNO6S/c1-4-9-31(28,29)21-12-16(14(2)10-19(21)24-15(3)25)5-6-17-11-18(23)7-8-20(17)30-13-22(26)27/h7-8,10-12H,4,9,13H2,1-3H3,(H,24,25)(H,26,27)
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| InChIKey |
URGAJBCAEVPQTQ-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