General Information of the Compound
Compound ID
CP0002205
Compound Name
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-fluorocyclopropyl]methanone
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Structure
Formula
C10H15FN2O
Molecular Weight
198.241
Canonical SMILES
F[C@H]1C[C@H]1C(=O)N1CC2CNCC2C1
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InChI
InChI=1S/C10H15FN2O/c11-9-1-8(9)10(14)13-4-6-2-12-3-7(6)5-13/h6-9,12H,1-5H2/t6?,7?,8-,9+/m1/s1
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InChIKey
WJSJLTQPBJXQOW-YNTFGVKOSA-N
Physicochemical Property
logP
0.0222
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 58201407
ChEMBL ID
CHEMBL2409477
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 = 6900 nM
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