General Information of the Compound
Compound ID
CP0554500
Compound Name
1-(2-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
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Structure
Formula
C19H16FN3O
Molecular Weight
321.355
Canonical SMILES
Fc1ccccc1C1(CC1)C(=O)Nc1ccn(n1)-c1ccccc1
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InChI
InChI=1S/C19H16FN3O/c20-16-9-5-4-8-15(16)19(11-12-19)18(24)21-17-10-13-23(22-17)14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,21,22,24)
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InChIKey
RYCIUDILOBGQMN-UHFFFAOYSA-N
Physicochemical Property
logP
3.6817
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 135315749
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 = 12 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 500 nM