General Information of the Compound
| Compound ID |
CP0336141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2,3-dichloro-N-ethyl-N-(pyrrolidin-3-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H16Cl2N2O
|
||||||||||||||||||
| Molecular Weight |
287.19
|
||||||||||||||||||
| Canonical SMILES |
CCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H16Cl2N2O/c1-2-17(9-6-7-16-8-9)13(18)10-4-3-5-11(14)12(10)15/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSYQQBKBYKJHAO-VIFPVBQESA-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