General Information of the Compound
Compound ID
CP0946353
Compound Name
1H-indol-2-amine hydrochloride
    Show/Hide
Structure
Formula
C8H9ClN2
Molecular Weight
168.627
Canonical SMILES
Cl.Nc1cc2ccccc2[nH]1
    Show/Hide
InChI
InChI=1S/C8H8N2.ClH/c9-8-5-6-3-1-2-4-7(6)10-8;/h1-5,10H,9H2;1H
    Show/Hide
InChIKey
JIKSXSUBAADKKK-UHFFFAOYSA-N
Physicochemical Property
logP
2.1719
Rotatable Bonds
0
Heavy Atom Count
11
Polar Areas
41.81
Hydrogen Bond Donor Count
2
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: 12211271
ChEMBL ID
CHEMBL2392114
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: PT03817, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 63000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02562, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 74000 nM
   TI
   LI
   LO
   TS