General Information of the Compound
| Compound ID |
CP0505496
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| Compound Name |
6-(3,5-Difluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazolo[3,2-b][1,2,4]triazole
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| Structure |
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| Formula |
C17H11F2N3O2S2
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| Molecular Weight |
391.424
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C17H11F2N3O2S2/c1-26(23,24)14-4-2-10(3-5-14)16-15(22-17(25-16)20-9-21-22)11-6-12(18)8-13(19)7-11/h2-9H,1H3
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| InChIKey |
FZXHCCKCXBZUPR-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