General Information of the Compound
Compound ID
CP0474862
Compound Name
N-benzyl-6-methyl-2-[(E)-2-phenylethenyl]imidazo[1,2-a]pyridin-3-amine
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Structure
Formula
C23H21N3
Molecular Weight
339.442
Canonical SMILES
Cc1ccc2nc(\C=C\c3ccccc3)c(NCc3ccccc3)n2c1
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InChI
InChI=1S/C23H21N3/c1-18-12-15-22-25-21(14-13-19-8-4-2-5-9-19)23(26(22)17-18)24-16-20-10-6-3-7-11-20/h2-15,17,24H,16H2,1H3/b14-13+
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InChIKey
XDHTZIPOEDTZSK-BUHFOSPRSA-N
Physicochemical Property
logP
5.42522
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
29.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 5885580
ChEMBL ID
CHEMBL4089680
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: PT01286, Bile acid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 1160 nM
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