General Information of the Compound
Compound ID
CP0474863
Compound Name
N-benzyl-6-methyl-2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-amine
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Structure
Formula
C25H21N3
Molecular Weight
363.464
Canonical SMILES
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc2ccccc2c1
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InChI
InChI=1S/C25H21N3/c1-18-11-14-23-27-24(22-13-12-20-9-5-6-10-21(20)15-22)25(28(23)17-18)26-16-19-7-3-2-4-8-19/h2-15,17,26H,16H2,1H3
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InChIKey
BQKJEGPNOWKTSQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.07502
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
29.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 11187621
SID: 16268626
ChEMBL ID
CHEMBL4079371
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 = 210 nM
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