General Information of the Compound
| Compound ID |
CP0868684
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1H-Imidazol-4-yl)propyl N-Butyl-N'-cyclopentylcarbamimidothioate dihydrobromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H29BrN4S
|
||||||||||||||||||
| Molecular Weight |
389.407
|
||||||||||||||||||
| Canonical SMILES |
Br.CCCCN/C(=N/C1CCCC1)SCCCc1c[nH]cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H28N4S.BrH/c1-2-3-10-18-16(20-14-7-4-5-8-14)21-11-6-9-15-12-17-13-19-15;/h12-14H,2-11H2,1H3,(H,17,19)(H,18,20);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
HQGVDQKFJYWFIG-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