General Information of the Compound
Compound ID
CP0543006
Compound Name
2-(2-fluorophenyl)-N-(4-phenylpyrimidin-2-yl)acetamide
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Structure
Formula
C18H14FN3O
Molecular Weight
307.328
Canonical SMILES
Fc1ccccc1CC(=O)Nc1nccc(n1)-c1ccccc1
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InChI
InChI=1S/C18H14FN3O/c19-15-9-5-4-8-14(15)12-17(23)22-18-20-11-10-16(21-18)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21,22,23)
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InChIKey
CNMOKHKAPZYFAC-UHFFFAOYSA-N
Physicochemical Property
logP
3.4639
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 168270265
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 > 5000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 50000 nM