General Information of the Compound
| Compound ID |
CP0909620
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| Compound Name |
3-(4-(methylsulfinyl)phenyl)-N-(3-(methylsulfonyl)phenyl)imidazo[1,2-b]pyridazin-6-amine
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| Structure |
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| Formula |
C20H18N4O3S2
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| Molecular Weight |
426.523
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| Canonical SMILES |
C[S+]([O-])c1ccc(-c2cnc3ccc(Nc4cccc(S(C)(=O)=O)c4)nn23)cc1
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| InChI |
InChI=1S/C20H18N4O3S2/c1-28(25)16-8-6-14(7-9-16)18-13-21-20-11-10-19(23-24(18)20)22-15-4-3-5-17(12-15)29(2,26)27/h3-13H,1-2H3,(H,22,23)
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| InChIKey |
IHRSQJRNOSBSMC-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