General Information of the Compound
Compound ID
CP0506298
Compound Name
1,3'-bipyrrolidin-1'-yl(3-((1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
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Structure
Formula
C23H26N4O
Molecular Weight
374.488
Canonical SMILES
O=C(N1CCC(C1)N1CCCC1)c1cccc(Cn2cnc3ccccc23)c1
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InChI
InChI=1S/C23H26N4O/c28-23(26-13-10-20(16-26)25-11-3-4-12-25)19-7-5-6-18(14-19)15-27-17-24-21-8-1-2-9-22(21)27/h1-2,5-9,14,17,20H,3-4,10-13,15-16H2
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InChIKey
BJRWWLOJTDJEIH-UHFFFAOYSA-N
Physicochemical Property
logP
3.3949
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 46230636
ChEMBL ID
CHEMBL598980
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 400 nM
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