General Information of the Compound
| Compound ID |
CP0473642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34N6O3S
|
||||||||||||||||||
| Molecular Weight |
558.708
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(CCCN4CCOCC4)ccc32)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N6O3S/c1-30(2,3)26-18-27(34-39-26)33-28(37)31-22-9-7-21(8-10-22)23-19-36-24-11-6-20(17-25(24)40-29(36)32-23)5-4-12-35-13-15-38-16-14-35/h6-11,17-19H,4-5,12-16H2,1-3H3,(H2,31,33,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UMYGVIGBQXDICG-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