General Information of the Compound
| Compound ID |
CP0946923
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| Compound Name |
4-((3-(4-(Methylsulfinyl)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)tetrahydro-2Hthiopyran-1,1-dioxide
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| Structure |
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| Formula |
C18H20N4O3S2
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| Molecular Weight |
404.517
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| Canonical SMILES |
C[S+]([O-])c1ccc(-c2cnc3ccc(NC4CCS(=O)(=O)CC4)nn23)cc1
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| InChI |
InChI=1S/C18H20N4O3S2/c1-26(23)15-4-2-13(3-5-15)16-12-19-18-7-6-17(21-22(16)18)20-14-8-10-27(24,25)11-9-14/h2-7,12,14H,8-11H2,1H3,(H,20,21)
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| InChIKey |
RXCGYHXRJHWFNX-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