General Information of the Compound
| Compound ID |
CP0532518
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(1S,2R)-2-(4-methylpiperazin-1-yl)cyclopropyl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H26ClN3
|
||||||||||||||||||
| Molecular Weight |
307.869
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)[C@@H]1C[C@@H]1CCNCc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H26ClN3/c1-20-8-10-21(11-9-20)17-12-15(17)6-7-19-13-14-2-4-16(18)5-3-14/h2-5,15,17,19H,6-13H2,1H3/t15-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XPDQKBVFGXKRBJ-DOTOQJQBSA-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor