General Information of the Compound
| Compound ID |
CP0930379
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3'-Bromobenzyl)biguanide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H14BrCl2N5
|
||||||||||||||||||
| Molecular Weight |
343.056
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.NC(N)=N/C(N)=N/Cc1cccc(Br)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H12BrN5.2ClH/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12;;/h1-4H,5H2,(H6,11,12,13,14,15);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
UFSGEXYUCLNFDW-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT04763, Trace amine-associated receptor 1
Protein ID: PT06391, Trace amine-associated receptor 5