General Information of the Compound
Compound ID
CP0910034
Compound Name
2-(4-(Pyridin-4-yl)thiazol-2-yl)ethanamine
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Structure
Formula
C10H11N3S
Molecular Weight
205.286
Canonical SMILES
NCCc1nc(-c2ccncc2)cs1
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InChI
InChI=1S/C10H11N3S/c11-4-1-10-13-9(7-14-10)8-2-5-12-6-3-8/h2-3,5-7H,1,4,11H2
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InChIKey
ASGSTPZRHAOXCU-UHFFFAOYSA-N
Physicochemical Property
logP
1.7063
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
51.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 6917192
ChEMBL ID
CHEMBL4571904
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
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   LI
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