General Information of the Compound
| Compound ID |
CP0968184
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| Compound Name |
N-ethyl-N-(2-fluoro-5-(3-(4-(methylsulfinyl)phenyl)imidazo[1,2-b]pyridazin-6-yl)benzyl)ethanamine
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| Structure |
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| Formula |
C24H25FN4OS
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| Molecular Weight |
436.556
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| Canonical SMILES |
CCN(CC)Cc1cc(-c2ccc3ncc(-c4ccc([S+](C)[O-])cc4)n3n2)ccc1F
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| InChI |
InChI=1S/C24H25FN4OS/c1-4-28(5-2)16-19-14-18(8-11-21(19)25)22-12-13-24-26-15-23(29(24)27-22)17-6-9-20(10-7-17)31(3)30/h6-15H,4-5,16H2,1-3H3
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| InChIKey |
CVPZLHSGARCYMG-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