General Information of the Compound
Compound ID
CP0527998
Compound Name
2-(2-acetylbenzimidazol-1-yl)-1-phenylethanone
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Structure
Formula
C17H14N2O2
Molecular Weight
278.311
Canonical SMILES
CC(=O)c1nc2ccccc2n1CC(=O)c1ccccc1
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InChI
InChI=1S/C17H14N2O2/c1-12(20)17-18-14-9-5-6-10-15(14)19(17)11-16(21)13-7-3-2-4-8-13/h2-10H,11H2,1H3
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InChIKey
FKGQXFATCKEKIR-UHFFFAOYSA-N
Physicochemical Property
logP
3.1218
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
51.96
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 384454
SID: 15344380
ChEMBL ID
CHEMBL270144
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 > 100000 nM
   TI
   LI
   LO
   TS