General Information of the Compound
| Compound ID |
CP0392520
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| Compound Name |
2-(4-Ethoxy-phenyl)-3-(4-methanesulfonyl-phenyl)-pyrazolo[1,5-b]pyridazine
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| Synonyms |
8-(4-ethoxyphenyl)-7-(4-methylsulfonylphenyl)-1,2,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene
GW 406381
GW-406381
GW406381
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| Structure |
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| Formula |
C21H19N3O3S
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| Molecular Weight |
393.468
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| Canonical SMILES |
CCOc1ccc(cc1)-c1nn2ncccc2c1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3
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| InChIKey |
NXMZBNYLCVTRGB-UHFFFAOYSA-N
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| CAS |
221148-46-5
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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
Clinical Information about the Compound