General Information of the Compound
| Compound ID |
CP0484142
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-Allylaminomethyl-phenylsulfanyl)-5-methyl-phenylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20N2S
|
||||||||||||||||||
| Molecular Weight |
284.428
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Sc2ccccc2CNCC=C)c(N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N2S/c1-3-10-19-12-14-6-4-5-7-16(14)20-17-9-8-13(2)11-15(17)18/h3-9,11,19H,1,10,12,18H2,2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XEZCTGHRWRPHGS-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter