General Information of the Compound
Compound ID
CP0197788
Compound Name
N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
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Structure
Formula
C17H20N6
Molecular Weight
308.389
Canonical SMILES
C1N=C(Nc2ncnc3ccccc23)NC11CN2CCC1CC2
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InChI
InChI=1S/C17H20N6/c1-2-4-14-13(3-1)15(20-11-19-14)21-16-18-9-17(22-16)10-23-7-5-12(17)6-8-23/h1-4,11-12H,5-10H2,(H2,18,19,20,21,22)
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InChIKey
BYODFSOMIWWCOB-UHFFFAOYSA-N
Physicochemical Property
logP
1.4653
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
65.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 72709267
ChEMBL ID
CHEMBL4096397
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 = 530 nM
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