General Information of the Compound
| Compound ID |
CP0402161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-Methoxyamino-1-(4-methylthiophenyl)propane
Show/Hide
|
||||||||||||||||||
| Synonyms |
1204749-12-1
2-N-Methoxyamino-1-(4-methylthiophenyl)propane
CHEMBL1077961
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H17NOS
|
||||||||||||||||||
| Molecular Weight |
211.33
|
||||||||||||||||||
| Canonical SMILES |
CONC(C)Cc1ccc(SC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H17NOS/c1-9(12-13-2)8-10-4-6-11(14-3)7-5-10/h4-7,9,12H,8H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWEGTFZAQIVRFB-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
Protein ID: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT00891, Sodium-dependent serotonin transporter
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000004 | SH-SY5Y | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 2454708.92 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|
| CL000006 | HEK293 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 10964.78 nM
|
TI
LI
LO
TS
|
|
Clinical Information about the Compound