General Information of the Compound
Compound ID
CP0916733
Compound Name
N-(4-(4-(2-Fluorophenyl)-1H-imidazol-5-yl)phenyl)acetamide
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Structure
Formula
C17H14FN3O
Molecular Weight
295.317
Canonical SMILES
CC(=O)Nc1ccc(-c2[nH]cnc2-c2ccccc2F)cc1
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InChI
InChI=1S/C17H14FN3O/c1-11(22)21-13-8-6-12(7-9-13)16-17(20-10-19-16)14-4-2-3-5-15(14)18/h2-10H,1H3,(H,19,20)(H,21,22)
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InChIKey
GVDGCMGUOGGGBE-UHFFFAOYSA-N
Physicochemical Property
logP
3.8412
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 127048012
ChEMBL ID
CHEMBL3800056
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000045 A-375 Homo sapiens (Human)  1
1
IC50 = 4700 nM
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