General Information of the Compound
| Compound ID |
CP0458447
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenoxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N2O2S
|
||||||||||||||||||
| Molecular Weight |
312.394
|
||||||||||||||||||
| Canonical SMILES |
O=C(COc1ccccc1)Nc1sc2CCCCc2c1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N2O2S/c18-10-14-13-8-4-5-9-15(13)22-17(14)19-16(20)11-21-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9,11H2,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHTHSHPGHBEQIG-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