General Information of the Compound
| Compound ID |
CP0498180
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| Compound Name |
6-(3-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-trifluoromethyl-thiazolo[3,2-b][1,2,4]triazole
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| Structure |
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| Formula |
C18H11F4N3O2S2
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| Molecular Weight |
441.431
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1sc2nc(nn2c1-c1cccc(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C18H11F4N3O2S2/c1-29(26,27)13-7-5-10(6-8-13)15-14(11-3-2-4-12(19)9-11)25-17(28-15)23-16(24-25)18(20,21)22/h2-9H,1H3
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| InChIKey |
URVFTJFHMOWIBI-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