General Information of the Compound
| Compound ID |
CP0403556
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| Compound Name |
3-[5-Chloro-3-(4-methanesulfonyl-phenyl)-3H-imidazol-4-yl]-pyridine
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| Structure |
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| Formula |
C15H12ClN3O2S
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| Molecular Weight |
333.8
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1cccnc1
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| InChI |
InChI=1S/C15H12ClN3O2S/c1-22(20,21)13-6-4-12(5-7-13)19-10-18-15(16)14(19)11-3-2-8-17-9-11/h2-10H,1H3
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| InChIKey |
JYMDOAVQNIWPDR-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