General Information of the Compound
Compound ID
CP0384361
Compound Name
5-[4-(4-piperidin-1-ylpyridin-2-yl)oxy-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
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Structure
Formula
C24H21F3N4O
Molecular Weight
438.453
Canonical SMILES
FC(F)(F)c1cc(Oc2cc(ccn2)N2CCCCC2)ccc1-c1cccc2nccn12
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InChI
InChI=1S/C24H21F3N4O/c25-24(26,27)20-16-18(7-8-19(20)21-5-4-6-22-28-11-14-31(21)22)32-23-15-17(9-10-29-23)30-12-2-1-3-13-30/h4-11,14-16H,1-3,12-13H2
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InChIKey
PZMDYVORBITUDG-UHFFFAOYSA-N
Physicochemical Property
logP
6.1977
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
42.66
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: 146025731
ChEMBL ID
CHEMBL4446947
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS