General Information of the Compound
| Compound ID |
CP0390880
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| Compound Name |
2-[4-chloro-2-[2-[3-(3-hydroxypropylsulfonyl)phenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C19H17ClO6S
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| Molecular Weight |
408.859
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| Canonical SMILES |
OCCCS(=O)(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C19H17ClO6S/c20-16-7-8-18(26-13-19(22)23)15(12-16)6-5-14-3-1-4-17(11-14)27(24,25)10-2-9-21/h1,3-4,7-8,11-12,21H,2,9-10,13H2,(H,22,23)
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| InChIKey |
ZBIQEQHZMXHNLB-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