General Information of the Compound
| Compound ID |
CP0418206
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(dimethylamino)ethyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H17N3O3S
|
||||||||||||||||||
| Molecular Weight |
307.375
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCN(C(C)=O)c1nc2cc3OCOc3cc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H17N3O3S/c1-9(18)17(5-4-16(2)3)14-15-10-6-11-12(20-8-19-11)7-13(10)21-14/h6-7H,4-5,8H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CHRAEYBZXMCHLQ-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