General Information of the Compound
Compound ID
CP0964644
Compound Name
(5-(Imidazo[1,2-a]pyridin-6-yl)-1H-indol-2-yl)methanamine
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Structure
Formula
C16H14N4
Molecular Weight
262.316
Canonical SMILES
NCc1cc2cc(-c3ccc4nccn4c3)ccc2[nH]1
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InChI
InChI=1S/C16H14N4/c17-9-14-8-13-7-11(1-3-15(13)19-14)12-2-4-16-18-5-6-20(16)10-12/h1-8,10,19H,9,17H2
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InChIKey
KIKOQHVMPGDQDD-UHFFFAOYSA-N
Physicochemical Property
logP
2.9413
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
59.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 134330647
ChEMBL ID
CHEMBL4574376
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