General Information of the Compound
Compound ID
CP0966371
Compound Name
(Pyrazin-3-yl)methanamine
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Structure
Formula
C5H7N3
Molecular Weight
109.132
Canonical SMILES
NCc1cnccn1
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InChI
InChI=1S/C5H7N3/c6-3-5-4-7-1-2-8-5/h1-2,4H,3,6H2
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InChIKey
HQIBSDCOMQYSPF-UHFFFAOYSA-N
CAS
20010-99-5
Physicochemical Property
logP
-0.0647
Rotatable Bonds
1
Heavy Atom Count
8
Polar Areas
51.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
8

"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: 266781
SID: 15321174
ChEMBL ID
CHEMBL4483332
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