General Information of the Compound
| Compound ID |
CP0451696
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-cyanophenoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N4O4S
|
||||||||||||||||||
| Molecular Weight |
452.536
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(cc3)C#N)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O4S/c1-23(2,31-16-6-4-15(14-24)5-7-16)21(28)26-22-25-19-18(29-3)9-8-17(20(19)32-22)27-10-12-30-13-11-27/h4-9H,10-13H2,1-3H3,(H,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNGOZTFMECGBTA-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