General Information of the Compound
Compound ID
CP0005208
Compound Name
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-2-yl)methanone
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Structure
Formula
C10H13N3O2
Molecular Weight
207.233
Canonical SMILES
O=C(N1CC2CNCC2C1)c1ncco1
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InChI
InChI=1S/C10H13N3O2/c14-10(9-12-1-2-15-9)13-5-7-3-11-4-8(7)6-13/h1-2,7-8,11H,3-6H2
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InChIKey
CWYMBKHGVCNXNE-UHFFFAOYSA-N
Physicochemical Property
logP
-0.034
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
58.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 24945124
SID: 56242834
ChEMBL ID
CHEMBL2179560
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 14000 nM
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