General Information of the Compound
| Compound ID |
CP0469539
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| Compound Name |
4-[2-(4-Fluoro-phenyl)-6-methoxy-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C19H15FN4O3S
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| Molecular Weight |
398.419
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| Canonical SMILES |
COc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C19H15FN4O3S/c1-27-17-11-10-16-18(12-4-8-15(9-5-12)28(21,25)26)19(23-24(16)22-17)13-2-6-14(20)7-3-13/h2-11H,1H3,(H2,21,25,26)
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| InChIKey |
KOFMTMMWWZKHPS-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