General Information of the Compound
| Compound ID |
CP0187117
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(3-chloro-2-methylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H25ClN2O
|
||||||||||||||||||
| Molecular Weight |
308.853
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cl)cccc1CN([C@H]1CCNC1)C1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H25ClN2O/c1-13-14(3-2-4-17(13)18)12-20(16-5-8-19-11-16)15-6-9-21-10-7-15/h2-4,15-16,19H,5-12H2,1H3/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MKNCFIMZZSMFIK-INIZCTEOSA-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