General Information of the Compound
Compound ID
CP0274281
Compound Name
5-chloro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
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Structure
Formula
C16H19ClN6S
Molecular Weight
362.89
Canonical SMILES
CN1C(Nc2nc3ccc(Cl)nc3s2)=NCC11CN2CCC1CC2
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InChI
InChI=1S/C16H19ClN6S/c1-22-14(18-8-16(22)9-23-6-4-10(16)5-7-23)21-15-19-11-2-3-12(17)20-13(11)24-15/h2-3,10H,4-9H2,1H3,(H,18,19,21)
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InChIKey
KJBHTEPFYURRRS-UHFFFAOYSA-N
Physicochemical Property
logP
2.5224
Rotatable Bonds
1
Heavy Atom Count
24
Polar Areas
56.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
24

"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: 72709273
ChEMBL ID
CHEMBL4082605
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 = 550 nM
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