General Information of the Compound
| Compound ID |
CP0877254
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((diethylamino)methyl)-4-(3-(4-(methylsulfinyl)phenyl)imidazo[1,2-b]pyridazin-6-ylamino)phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5O2S
|
||||||||||||||||||
| Molecular Weight |
449.58
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)Cc1cc(Nc2ccc3ncc(-c4ccc([S+](C)[O-])cc4)n3n2)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5O2S/c1-4-28(5-2)16-18-14-19(8-11-22(18)30)26-23-12-13-24-25-15-21(29(24)27-23)17-6-9-20(10-7-17)32(3)31/h6-15,30H,4-5,16H2,1-3H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCWJXLSHTFTKIU-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound