General Information of the Compound
Compound ID
CP0579218
Compound Name
2-methyl-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
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Structure
Formula
C19H19N3O
Molecular Weight
305.381
Canonical SMILES
CC(C)(C(=O)Nc1ccn(n1)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C19H19N3O/c1-19(2,15-9-5-3-6-10-15)18(23)20-17-13-14-22(21-17)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,20,21,23)
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InChIKey
JGKSPJPXWGMPCK-UHFFFAOYSA-N
Physicochemical Property
logP
3.7886
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
46.92
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: 134589079
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 = 300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2700 nM