General Information of the Compound
Compound ID
CP0955358
Compound Name
N-(5-Chloro-1H-benzoimidazol-2-yl)-acetamide
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Structure
Formula
C9H8ClN3O
Molecular Weight
209.636
Canonical SMILES
CC(=O)Nc1nc2cc(Cl)ccc2[nH]1
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InChI
InChI=1S/C9H8ClN3O/c1-5(14)11-9-12-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3,(H2,11,12,13,14)
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InChIKey
IBDNYLLOUHKULY-UHFFFAOYSA-N
Physicochemical Property
logP
2.1747
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 13153370
ChEMBL ID
CHEMBL186575
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki < 100000 nM
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