General Information of the Compound
| Compound ID |
CP0496845
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| Compound Name |
3-(4-Methanesulfonyl-phenyl)-6-methyl-2-phenyl-pyrazolo[1,5-b]pyridazine
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| Structure |
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| Formula |
C20H17N3O2S
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| Molecular Weight |
363.442
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| Canonical SMILES |
Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H17N3O2S/c1-14-8-13-18-19(15-9-11-17(12-10-15)26(2,24)25)20(22-23(18)21-14)16-6-4-3-5-7-16/h3-13H,1-2H3
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| InChIKey |
KUIFHRZDNYUKEH-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