General Information of the Compound
Compound ID
CP0578842
Compound Name
2-(2-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
    Show/Hide
Structure
Formula
C17H13FN2OS
Molecular Weight
312.369
Canonical SMILES
Fc1ccccc1CC(=O)Nc1nc(cs1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C17H13FN2OS/c18-14-9-5-4-8-13(14)10-16(21)20-17-19-15(11-22-17)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20,21)
    Show/Hide
InChIKey
CGBKQYWTWJTWQN-UHFFFAOYSA-N
Physicochemical Property
logP
4.1304
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2598533
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: PT05231, Very long chain fatty acid elongase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000154 HEK293-EBNA1-6E Homo sapiens (Human)  1
1
IC50 = 280 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3200 nM