General Information of the Compound
| Compound ID |
CP0875096
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-Benzyl-((3S*,4S*)-4-benzylpyrrolidin-3-ylmethyl)-(4-chlorophenyl)-amine Hydrochloride Salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28Cl2N2
|
||||||||||||||||||
| Molecular Weight |
427.419
|
||||||||||||||||||
| Canonical SMILES |
Cl.Clc1ccc(N(Cc2ccccc2)CC2CNCC2Cc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27ClN2.ClH/c26-24-11-13-25(14-12-24)28(18-21-9-5-2-6-10-21)19-23-17-27-16-22(23)15-20-7-3-1-4-8-20;/h1-14,22-23,27H,15-19H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUJMEBNPEXLPMY-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