General Information of the Compound
| Compound ID |
CP0411385
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8796297, 21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H23N5
|
||||||||||||||||||
| Molecular Weight |
297.406
|
||||||||||||||||||
| Canonical SMILES |
Nc1nccc(n1)N1CCCN(Cc2ccccc2)CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H23N5/c18-17-19-9-8-16(20-17)22-12-4-10-21(11-5-13-22)14-15-6-2-1-3-7-15/h1-3,6-9H,4-5,10-14H2,(H2,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCVGQACZWWDJJA-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