General Information of the Compound
| Compound ID |
CP0430370
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-cyano-2-[4-(1H-imidazol-5-yl)butyl]guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H14N6
|
||||||||||||||||||
| Molecular Weight |
206.253
|
||||||||||||||||||
| Canonical SMILES |
NC(NC#N)=NCCCCc1cnc[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H14N6/c10-6-14-9(11)13-4-2-1-3-8-5-12-7-15-8/h5,7H,1-4H2,(H,12,15)(H3,11,13,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BDBQKEQJJZXSDB-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