General Information of the Compound
| Compound ID |
CP0500754
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| Compound Name |
4-[2-(4-Trifluoromethoxy-phenyl)-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C19H13F3N4O3S
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| Molecular Weight |
434.399
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| Canonical SMILES |
NS(=O)(=O)c1ccc(cc1)-c1c(nn2ncccc12)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C19H13F3N4O3S/c20-19(21,22)29-14-7-3-13(4-8-14)18-17(16-2-1-11-24-26(16)25-18)12-5-9-15(10-6-12)30(23,27)28/h1-11H,(H2,23,27,28)
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| InChIKey |
ZLBIPLGWXXVSQN-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