General Information of the Compound
| Compound ID |
CP0498492
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| Compound Name |
3-(4-Methanesulfonyl-phenyl)-6-methoxy-2-p-tolyl-pyrazolo[1,5-b]pyridazine
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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 |
COc1ccc2c(c(nn2n1)-c1ccc(C)cc1)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H19N3O3S/c1-14-4-6-16(7-5-14)21-20(15-8-10-17(11-9-15)28(3,25)26)18-12-13-19(27-2)22-24(18)23-21/h4-13H,1-3H3
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| InChIKey |
FWSYZIGOTKGGTI-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