General Information of the Compound
| Compound ID |
CP0406295
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| Compound Name |
5-(4-Methanesulfonyl-phenyl)-6-phenyl-imidazo[2,1-b]thiazole-3-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C21H18N2O4S2
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| Molecular Weight |
426.519
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| Canonical SMILES |
CCOC(=O)c1csc2nc(c(-c3ccc(cc3)S(C)(=O)=O)n12)-c1ccccc1
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| InChI |
InChI=1S/C21H18N2O4S2/c1-3-27-20(24)17-13-28-21-22-18(14-7-5-4-6-8-14)19(23(17)21)15-9-11-16(12-10-15)29(2,25)26/h4-13H,3H2,1-2H3
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| InChIKey |
DAWMTLYDEHXOQA-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