General Information of the Compound
Compound ID
CP0579542
Compound Name
2-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
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Structure
Formula
C17H15N3O
Molecular Weight
277.327
Canonical SMILES
O=C(Cc1ccccc1)Nc1ccn(n1)-c1ccccc1
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InChI
InChI=1S/C17H15N3O/c21-17(13-14-7-3-1-4-8-14)18-16-11-12-20(19-16)15-9-5-2-6-10-15/h1-12H,13H2,(H,18,19,21)
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InChIKey
WKGXHJXCBVCTDK-UHFFFAOYSA-N
Physicochemical Property
logP
3.0535
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 110472142
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 = 70 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2700 nM