General Information of the Compound
| Compound ID |
CP0384029
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-Propargylamino-1-(4-methylthiophenyl)propane
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-N-Propargylamino-1-(4-methylthiophenyl)propane
CHEMBL1079255
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H17NS
|
||||||||||||||||||
| Molecular Weight |
219.353
|
||||||||||||||||||
| Canonical SMILES |
CSc1ccc(CC(C)NCC#C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H17NS/c1-4-9-14-11(2)10-12-5-7-13(15-3)8-6-12/h1,5-8,11,14H,9-10H2,2-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UPHGABWYFBVICE-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
Clinical Information about the Compound