General Information of the Compound
Compound ID
CP0553700
Compound Name
2-ethoxy-5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2,3-dihydro-1H-benzo[d]imidazole
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Structure
Formula
C23H30FN3O2
Molecular Weight
399.51
Canonical SMILES
CCOC1Nc2cc(F)ccc2N1c1ccc(OCCCN2CCCCC2)cc1
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InChI
InChI=1S/C23H30FN3O2/c1-2-28-23-25-21-17-18(24)7-12-22(21)27(23)19-8-10-20(11-9-19)29-16-6-15-26-13-4-3-5-14-26/h7-12,17,23,25H,2-6,13-16H2,1H3
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InChIKey
HLQPQPMYUPXRLR-UHFFFAOYSA-N
Physicochemical Property
logP
4.9642
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
36.97
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 44580470
ChEMBL ID
CHEMBL497997
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 15 nM
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