General Information of the Compound
Compound ID
CP0107701
Compound Name
(2-chloropyridin-4-yl)methanamine
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Structure
Formula
C6H7ClN2
Molecular Weight
142.589
Canonical SMILES
NCc1ccnc(Cl)c1
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InChI
InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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InChIKey
GGHCWJWUOSNCSK-UHFFFAOYSA-N
Physicochemical Property
logP
1.1937
Rotatable Bonds
1
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: 2794167
ChEMBL ID
CHEMBL4068784
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)  3
1
IC50 = 126 nM
   TI
   LI
   LO
   TS
2
IC50 = 190 nM
   TI
   LI
   LO
   TS
3
IC50 = 1450 nM
   TI
   LI
   LO
   TS
Protein ID: PT06007, 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 = 136 nM
   TI
   LI
   LO
   TS
Protein ID: PT06612, 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 = 227 nM
   TI
   LI
   LO
   TS
Protein ID: PT05764, Protein-lysine 6-oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5910 nM
   TI
   LI
   LO
   TS