General Information of the Compound
Compound ID
CP0214049
Compound Name
(5-bromo-1-benzofuran-2-yl)methanamine
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Structure
Formula
C9H8BrNO
Molecular Weight
226.073
Canonical SMILES
NCc1cc2cc(Br)ccc2o1
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InChI
InChI=1S/C9H8BrNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
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InChIKey
UOODONZLFBRQNV-UHFFFAOYSA-N
Physicochemical Property
logP
2.654
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
39.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
12

"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).

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PubChem ID
CID: 2795538
ChEMBL ID
CHEMBL3358220
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 > 1000 nM
   TI
   LI
   LO
   TS