General Information of the Compound
| Compound ID |
CP0371437
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| Compound Name |
5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,2']bipyridinyl
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| Structure |
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| Formula |
C17H13ClN2O2S
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| Molecular Weight |
344.823
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1ccccn1
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| InChI |
InChI=1S/C17H13ClN2O2S/c1-23(21,22)14-7-5-12(6-8-14)15-10-13(18)11-20-17(15)16-4-2-3-9-19-16/h2-11H,1H3
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| InChIKey |
QIIVYFCKLOBDST-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
Protein ID: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2