General Information of the Compound
Compound ID
CP0890181
Compound Name
1-(4-bromo-phenyl)-2-{2-[2-methoxy-ethylimino]-3-methyl-2,3-dihydro-benzoimidazol-1-yl}-ethanone
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Formula
C19H20BrN3O2
Molecular Weight
402.292
Canonical SMILES
COCC/N=c1/n(C)c2ccccc2n1CC(=O)c1ccc(Br)cc1
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InChI
InChI=1S/C19H20BrN3O2/c1-22-16-5-3-4-6-17(16)23(19(22)21-11-12-25-2)13-18(24)14-7-9-15(20)10-8-14/h3-10H,11-13H2,1-2H3/b21-19-
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InChIKey
SBMLMCSYYOJPJE-VZCXRCSSSA-N
Physicochemical Property
logP
3.1723
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
48.52
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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
SID: 29212697
ChEMBL ID
CHEMBL273013
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 = 1000 nM
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