General Information of the Compound
| Compound ID |
CP0449758
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| Compound Name |
2-Ethyl-5-(4-methanesulfonyl-phenyl)-6-phenyl-thiazolo[3,2-b][1,2,4]triazole
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| Structure |
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| Formula |
C19H17N3O2S2
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| Molecular Weight |
383.498
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| Canonical SMILES |
CCc1nc2sc(c(-c3ccccc3)n2n1)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C19H17N3O2S2/c1-3-16-20-19-22(21-16)17(13-7-5-4-6-8-13)18(25-19)14-9-11-15(12-10-14)26(2,23)24/h4-12H,3H2,1-2H3
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| InChIKey |
NURGVZYLZIHTFO-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