General Information of the Compound
Compound ID
CP0042911
Compound Name
N-phenyl-4-pyridin-2-yl-1,3-thiazol-2-amine
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Structure
Formula
C14H11N3S
Molecular Weight
253.33
Canonical SMILES
N(c1nc(cs1)-c1ccccn1)c1ccccc1
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InChI
InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)16-14-17-13(10-18-14)12-8-4-5-9-15-12/h1-10H,(H,16,17)
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InChIKey
VZHGZKUEVAANEJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9487
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
37.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 873000
SID: 89446626
ChEMBL ID
CHEMBL490592
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: PT04088, Small conductance calcium-activated potassium channel protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
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   LI
   LO
   TS