General Information of the Compound
| Compound ID |
CP0469538
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| Compound Name |
2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-6-methoxy-pyrazolo[1,5-b]pyridazine
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| Structure |
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| Formula |
C20H16FN3O3S
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| Molecular Weight |
397.431
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| Canonical SMILES |
COc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H16FN3O3S/c1-27-18-12-11-17-19(13-5-9-16(10-6-13)28(2,25)26)20(23-24(17)22-18)14-3-7-15(21)8-4-14/h3-12H,1-2H3
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| InChIKey |
TZIFVBRWFVXOKP-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