General Information of the Compound
| Compound ID |
CP0432707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N2
|
||||||||||||||||||
| Molecular Weight |
398.594
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(Cc1ccccc1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N2/c1-29(2)28(21-23-9-5-3-6-10-23)27-17-15-26(16-18-27)25-13-11-24(12-14-25)22-30-19-7-4-8-20-30/h3,5-6,9-18,28H,4,7-8,19-22H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXCNZOSBXSIHTF-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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor