General Information of the Compound
Compound ID
CP0478541
Compound Name
6-bromo-1,2,3,4-tetrahydroisoquinoline
    Show/Hide
Structure
Formula
C9H10BrN
Molecular Weight
212.09
Canonical SMILES
Brc1ccc2CNCCc2c1
    Show/Hide
InChI
InChI=1S/C9H10BrN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
    Show/Hide
InChIKey
URDGCPQHZSDBRG-UHFFFAOYSA-N
Physicochemical Property
logP
2.0948
Rotatable Bonds
0
Heavy Atom Count
11
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
11

"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
CID: 15885183
SID: 85243866
ChEMBL ID
CHEMBL1770731
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: PT02829, Acid-sensing ion channel 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 701000 nM
   TI
   LI
   LO
   TS