General Information of the Compound
Compound ID
CP0235879
Compound Name
5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
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Structure
Formula
C26H27FN4O
Molecular Weight
430.527
Canonical SMILES
Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1
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InChI
InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2
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InChIKey
ILIWVAFIMXCJTB-UHFFFAOYSA-N
Physicochemical Property
logP
5.4814
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
43.18
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 11532065
SID: 16634105
ChEMBL ID
CHEMBL495698
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)  2
1
Ki = 0.1 nM
   TI
   LI
   LO
   TS
2
Ki = 1.2 nM
   TI
   LI
   LO
   TS