General Information of the Compound
| Compound ID |
CP0946460
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| Compound Name |
6-(4-(methylsulfinyl)phenyl)-3-(4-(methylsulfonyl)phenyl)imidazo[1,2-b]pyridazine
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| Structure |
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| Formula |
C20H17N3O3S2
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| Molecular Weight |
411.508
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| Canonical SMILES |
C[S+]([O-])c1ccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)cc1
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| InChI |
InChI=1S/C20H17N3O3S2/c1-27(24)16-7-3-14(4-8-16)18-11-12-20-21-13-19(23(20)22-18)15-5-9-17(10-6-15)28(2,25)26/h3-13H,1-2H3
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| InChIKey |
IDPNZXOCTFIMRW-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