General Information of the Compound
Compound ID
CP0916351
Compound Name
[3-(5-Chloro-1H-benzoimidazol-2-yl)-phenyl]-dimethyl-amine
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Structure
Formula
C15H14ClN3
Molecular Weight
271.751
Canonical SMILES
CN(C)c1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1
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InChI
InChI=1S/C15H14ClN3/c1-19(2)12-5-3-4-10(8-12)15-17-13-7-6-11(16)9-14(13)18-15/h3-9H,1-2H3,(H,17,18)
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InChIKey
CRAAAJDSNXJDEQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9493
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 44395389
ChEMBL ID
CHEMBL187106
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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