General Information of the Compound
Compound ID
CP0570387
Compound Name
2-pyridin-4-ylethanamine
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Structure
Formula
C7H10N2
Molecular Weight
122.171
Canonical SMILES
NCCc1ccncc1
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InChI
InChI=1S/C7H10N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1,4,8H2
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InChIKey
IDLHTECVNDEOIY-UHFFFAOYSA-N
CAS
13258-63-4
Physicochemical Property
logP
0.5828
Rotatable Bonds
2
Heavy Atom Count
9
Polar Areas
38.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
9

"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: 83275
SID: 14793734
ChEMBL ID
CHEMBL4088360
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 = 8210 nM
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   LI
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