General Information of the Compound
| Compound ID |
CP0254256
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(methylthio)-N-propyl-N-(pyrrolidin-3-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H22N2OS
|
||||||||||||||||||
| Molecular Weight |
278.421
|
||||||||||||||||||
| Canonical SMILES |
CCCN([C@H]1CCNC1)C(=O)c1ccccc1SC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H22N2OS/c1-3-10-17(12-8-9-16-11-12)15(18)13-6-4-5-7-14(13)19-2/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BBNHSIZBHGYEBG-LBPRGKRZSA-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