General Information of the Compound
| Compound ID |
CP0891661
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1H-imidazol-4-yl)propyl N-cyclohexyl-N'-(3,4-dichlorobenzyl)carbamimidothioate dihydrobromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27BrCl2N4S
|
||||||||||||||||||
| Molecular Weight |
506.341
|
||||||||||||||||||
| Canonical SMILES |
Br.Clc1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26Cl2N4S.BrH/c21-18-9-8-15(11-19(18)22)12-24-20(26-16-5-2-1-3-6-16)27-10-4-7-17-13-23-14-25-17;/h8-9,11,13-14,16H,1-7,10,12H2,(H,23,25)(H,24,26);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWWYNIXGYRPQSZ-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