General Information of the Compound
Compound ID
CP0307262
Compound Name
N-butyl-N-[3-[4-(5-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
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Structure
Formula
C25H35N3O
Molecular Weight
393.575
Canonical SMILES
CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2c(C)cccc2n1
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InChI
InChI=1S/C25H35N3O/c1-4-6-16-27(17-7-5-2)18-9-19-29-23-14-12-22(13-15-23)24-20-28-21(3)10-8-11-25(28)26-24/h8,10-15,20H,4-7,9,16-19H2,1-3H3
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InChIKey
GMLNZJOXNMNDDS-UHFFFAOYSA-N
Physicochemical Property
logP
5.98082
Rotatable Bonds
12
Heavy Atom Count
29
Polar Areas
29.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 11200224
SID: 16282033
ChEMBL ID
CHEMBL70313
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
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 4000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2100 nM