General Information of the Compound
| Compound ID |
CP0496866
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| Compound Name |
4-[2-(4-Ethoxy-phenyl)-6-methanesulfonyl-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C21H20N4O5S2
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| Molecular Weight |
472.548
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| Canonical SMILES |
CCOc1ccc(cc1)-c1nn2nc(ccc2c1-c1ccc(cc1)S(N)(=O)=O)S(C)(=O)=O
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| InChI |
InChI=1S/C21H20N4O5S2/c1-3-30-16-8-4-15(5-9-16)21-20(14-6-10-17(11-7-14)32(22,28)29)18-12-13-19(31(2,26)27)23-25(18)24-21/h4-13H,3H2,1-2H3,(H2,22,28,29)
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| InChIKey |
ALTRDEMZLHEPJN-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