General Information of the Compound
Compound ID
CP0874432
Compound Name
(5-Bromo-7-methylbenzofuran-2-yl)methanamine
    Show/Hide
Structure
Formula
C10H10BrNO
Molecular Weight
240.1
Canonical SMILES
Cc1cc(Br)cc2cc(CN)oc12
    Show/Hide
InChI
InChI=1S/C10H10BrNO/c1-6-2-8(11)3-7-4-9(5-12)13-10(6)7/h2-4H,5,12H2,1H3
    Show/Hide
InChIKey
RMDOTIGSEBBNJR-UHFFFAOYSA-N
Physicochemical Property
logP
2.96242
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
39.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 63216476
ChEMBL ID
CHEMBL4521618
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: PT04868, Lysyl oxidase homolog 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 < 300 nM
   TI
   LI
   LO
   TS