General Information of the Compound
Compound ID
CP0459650
Compound Name
5-fluoro-1-(4-(3-(4-methyl-1,4-diazepan-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
    Show/Hide
Structure
Formula
C27H30FN5O
Molecular Weight
459.569
Canonical SMILES
CN1CCCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
    Show/Hide
InChI
InChI=1S/C27H30FN5O/c1-31-14-4-15-32(18-17-31)16-5-19-34-23-10-8-22(9-11-23)33-26-12-7-21(28)20-25(26)30-27(33)24-6-2-3-13-29-24/h2-3,6-13,20H,4-5,14-19H2,1H3
    Show/Hide
InChIKey
BFUXPMGBMKKASW-UHFFFAOYSA-N
Physicochemical Property
logP
4.633
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
46.42
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
34

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44580339
ChEMBL ID
CHEMBL495914
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 = 3.6 nM
   TI
   LI
   LO
   TS