General Information of the Compound
Compound ID
CP0374379
Compound Name
5-(1-Aza-bicyclo[2.2.1]hept-3-yl)-[1,2,4]oxadiazol-3-ylamine
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Structure
Formula
C8H12N4O
Molecular Weight
180.211
Canonical SMILES
Nc1noc(n1)C1CN2CCC1C2
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InChI
InChI=1S/C8H12N4O/c9-8-10-7(13-11-8)6-4-12-2-1-5(6)3-12/h5-6H,1-4H2,(H2,9,11)
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InChIKey
XARSDFQMNNNPBL-UHFFFAOYSA-N
CAS
114724-45-7
Physicochemical Property
logP
0.0709
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
68.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
13

"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: 163938
SID: 15462628
ChEMBL ID
CHEMBL314737
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 100000 nM
   TI
   LI
   LO
   TS
2
IC50 = 400 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS