General Information of the Compound
Compound ID
CP0575593
Compound Name
2-(2-fluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
    Show/Hide
Structure
Formula
C17H14FN3O
Molecular Weight
295.317
Canonical SMILES
Fc1ccccc1CC(=O)Nc1ccn(n1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C17H14FN3O/c18-15-9-5-4-6-13(15)12-17(22)19-16-10-11-21(20-16)14-7-2-1-3-8-14/h1-11H,12H2,(H,19,20,22)
    Show/Hide
InChIKey
PFUOHDUVWPJTIF-UHFFFAOYSA-N
Physicochemical Property
logP
3.1926
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
46.92
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: 134589150
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 = 60 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1600 nM