General Information of the Compound
| Compound ID |
CP0565400
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23ClN2
|
||||||||||||||||||
| Molecular Weight |
326.871
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1C1CCN(C1)c1ccc2CCNCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23ClN2/c21-20-4-2-1-3-19(20)17-9-12-23(14-17)18-6-5-15-7-10-22-11-8-16(15)13-18/h1-6,13,17,22H,7-12,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYLJQCRJYVHNQO-UHFFFAOYSA-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