General Information of the Compound
Compound ID
CP0449524
Compound Name
4-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-N-methyl-N-(2-(piperidin-1-yl)ethyl)benzenamine
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Structure
Formula
C21H24Cl2N4
Molecular Weight
403.357
Canonical SMILES
CN(CCN1CCCCC1)c1ccc(cc1)-c1nc2cc(Cl)c(Cl)cc2[nH]1
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InChI
InChI=1S/C21H24Cl2N4/c1-26(11-12-27-9-3-2-4-10-27)16-7-5-15(6-8-16)21-24-19-13-17(22)18(23)14-20(19)25-21/h5-8,13-14H,2-4,9-12H2,1H3,(H,24,25)
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InChIKey
WTYYMEHQSWTSIJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.4588
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
35.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 15518124
ChEMBL ID
CHEMBL377432
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: PT01021, C-C chemokine receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 13400 nM
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