General Information of the Compound
| Compound ID |
CP0218894
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H12N2OS
|
||||||||||||||||||
| Molecular Weight |
220.297
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1sc2CCCCc2c1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H12N2OS/c1-7(14)13-11-9(6-12)8-4-2-3-5-10(8)15-11/h2-5H2,1H3,(H,13,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMJUHOMXJHGRKV-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
20036-97-9
|
||||||||||||||||||
| 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