General Information of the Compound
| Compound ID |
CP0187116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(2,3-dichlorobenzyl)-N-(cyclopropylmethyl)pyrrolidin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20Cl2N2
|
||||||||||||||||||
| Molecular Weight |
299.245
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(CN(CC2CC2)[C@H]2CCNC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20Cl2N2/c16-14-3-1-2-12(15(14)17)10-19(9-11-4-5-11)13-6-7-18-8-13/h1-3,11,13,18H,4-10H2/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDQSOSLERPCADB-ZDUSSCGKSA-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