General Information of the Compound
Compound ID
CP0551175
Compound Name
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide
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Structure
Formula
C22H17N3OS
Molecular Weight
371.465
Canonical SMILES
O=C(Cc1ccc(cc1)-c1ccncc1)Nc1nc(cs1)-c1ccccc1
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InChI
InChI=1S/C22H17N3OS/c26-21(25-22-24-20(15-27-22)19-4-2-1-3-5-19)14-16-6-8-17(9-7-16)18-10-12-23-13-11-18/h1-13,15H,14H2,(H,24,25,26)
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InChIKey
YLXBWBPZHOOGOX-UHFFFAOYSA-N
Physicochemical Property
logP
5.0533
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 58447763
ChEMBL ID
CHEMBL4556979
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: PT04787, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000633 TM3 Mus musculus (Mouse)  1
1
IC50 = 5.5 nM
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