General Information of the Compound
| Compound ID |
CP0544850
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8796297, 12
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H21N5
|
||||||||||||||||||
| Molecular Weight |
283.379
|
||||||||||||||||||
| Canonical SMILES |
Nc1nccc(NC2CCN(Cc3ccccc3)CC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H21N5/c17-16-18-9-6-15(20-16)19-14-7-10-21(11-8-14)12-13-4-2-1-3-5-13/h1-6,9,14H,7-8,10-12H2,(H3,17,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHDNZZFBIJGVER-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: PT01173, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor