General Information of the Compound
Compound ID
CP0373558
Compound Name
(4-((1H-benzo[d]imidazol-1-yl)methyl)phenyl)(3-(dimethylamino)pyrrolidin-1-yl)methanone
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Structure
Formula
C21H24N4O
Molecular Weight
348.45
Canonical SMILES
CN(C)C1CCN(C1)C(=O)c1ccc(Cn2cnc3ccccc23)cc1
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InChI
InChI=1S/C21H24N4O/c1-23(2)18-11-12-24(14-18)21(26)17-9-7-16(8-10-17)13-25-15-22-19-5-3-4-6-20(19)25/h3-10,15,18H,11-14H2,1-2H3
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InChIKey
VWLUJCOUHBGQEC-UHFFFAOYSA-N
Physicochemical Property
logP
2.8607
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 25030982
SID: 56381751
ChEMBL ID
CHEMBL589508
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 = 390 nM
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