General Information of the Compound
| Compound ID |
CP0276129
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N3S
|
||||||||||||||||||
| Molecular Weight |
297.427
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCc1sc2ccccc2c1Cc1cnccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N3S/c1-20(2)10-7-17-15(11-13-12-18-8-9-19-13)14-5-3-4-6-16(14)21-17/h3-6,8-9,12H,7,10-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QWTQKWHOWDAFRM-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