General Information of the Compound
| Compound ID |
CP0384763
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-6-(pyrrolidin-3-ylmethoxy)-2-naphthonitrile
Show/Hide
|
||||||||||||||||||
| Synonyms |
(R)-6-(pyrrolidin-3-ylmethoxy)-2-naphthonitrile
CHEMBL506397
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16N2O
|
||||||||||||||||||
| Molecular Weight |
252.317
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc2cc(OC[C@@H]3CCNC3)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16N2O/c17-9-12-1-2-15-8-16(4-3-14(15)7-12)19-11-13-5-6-18-10-13/h1-4,7-8,13,18H,5-6,10-11H2/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYEILVKGQDUINV-CYBMUJFWSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound