General Information of the Compound
| Compound ID |
CP0449756
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| Compound Name |
6-(3-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-thiazolo[3,2-b][1,2,4]triazole
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| Structure |
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| Formula |
C18H14FN3O2S2
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| Molecular Weight |
387.461
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| Canonical SMILES |
Cc1nc2sc(c(-c3cccc(F)c3)n2n1)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C18H14FN3O2S2/c1-11-20-18-22(21-11)16(13-4-3-5-14(19)10-13)17(25-18)12-6-8-15(9-7-12)26(2,23)24/h3-10H,1-2H3
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| InChIKey |
SADKAPNDXBMKPD-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