General Information of the Compound
| Compound ID |
CP0524904
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| Compound Name |
2-[4-chloro-2-[2-(5-morpholin-4-ylsulfonylpyridin-3-yl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C19H17ClN2O6S
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| Molecular Weight |
436.873
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| Canonical SMILES |
OC(=O)COc1ccc(Cl)cc1C#Cc1cncc(c1)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C19H17ClN2O6S/c20-16-3-4-18(28-13-19(23)24)15(10-16)2-1-14-9-17(12-21-11-14)29(25,26)22-5-7-27-8-6-22/h3-4,9-12H,5-8,13H2,(H,23,24)
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| InChIKey |
RGLKPPIZSWBOSB-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