General Information of the Compound
| Compound ID |
CP0475474
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]morpholine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27FN4O4S
|
||||||||||||||||||
| Molecular Weight |
474.558
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(CNC(=O)C1COCCN1)CN(C1=NS(=O)(=O)c2cc(F)ccc12)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27FN4O4S/c1-23(2,14-26-22(29)19-13-32-11-10-25-19)15-28(17-6-4-3-5-7-17)21-18-9-8-16(24)12-20(18)33(30,31)27-21/h3-9,12,19,25H,10-11,13-15H2,1-2H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROIVJLDUTCTDKQ-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