General Information of the Compound
Compound ID
CP0457816
Compound Name
2-(2-acetyl-5-phenylbenzimidazol-1-yl)-1-(4-bromophenyl)ethanone
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Structure
Formula
C23H17BrN2O2
Molecular Weight
433.305
Canonical SMILES
CC(=O)c1nc2cc(ccc2n1CC(=O)c1ccc(Br)cc1)-c1ccccc1
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InChI
InChI=1S/C23H17BrN2O2/c1-15(27)23-25-20-13-18(16-5-3-2-4-6-16)9-12-21(20)26(23)14-22(28)17-7-10-19(24)11-8-17/h2-13H,14H2,1H3
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InChIKey
WUZCKFGYMXQCFE-UHFFFAOYSA-N
Physicochemical Property
logP
5.5513
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
51.96
Hydrogen Bond Donor Count
0
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: 44454616
ChEMBL ID
CHEMBL269810
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: PT03433, C-X-C chemokine receptor type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 50000 nM
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   LI
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