General Information of the Compound
Compound ID
CP0210795
Compound Name
5-chloro-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
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Structure
Formula
C15H17ClN6S
Molecular Weight
348.863
Canonical SMILES
Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2n1
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InChI
InChI=1S/C15H17ClN6S/c16-11-2-1-10-12(19-11)23-14(18-10)20-13-17-7-15(21-13)8-22-5-3-9(15)4-6-22/h1-2,9H,3-8H2,(H2,17,18,20,21)
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InChIKey
HQEKGUANNJMHFT-UHFFFAOYSA-N
Physicochemical Property
logP
2.1802
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
65.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 72709272
ChEMBL ID
CHEMBL4067446
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 56 nM
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