General Information of the Compound
Compound ID
CP0461300
Compound Name
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-hydroxy-benzamide
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Structure
Formula
C21H15FN4O2
Molecular Weight
374.375
Canonical SMILES
ONC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
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InChI
InChI=1S/C21H15FN4O2/c22-17-7-5-13(6-8-17)18-19(14-9-11-23-12-10-14)25-20(24-18)15-1-3-16(4-2-15)21(27)26-28/h1-12,28H,(H,24,25)(H,26,27)
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InChIKey
HTMKEWXQHFYDHD-UHFFFAOYSA-N
Physicochemical Property
logP
4.0638
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
90.9
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 18771532
ChEMBL ID
CHEMBL277724
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 4700 nM
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