General Information of the Compound
Compound ID
CP0485721
Compound Name
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide
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Structure
Formula
C16H18N2O2
Molecular Weight
270.332
Canonical SMILES
O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2occc2c1
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InChI
InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(8-13)4-6-20-15)17-14-7-11-3-5-18(9-11)10-14/h1-2,4,6,8,11,14H,3,5,7,9-10H2,(H,17,19)/t11-,14-/m1/s1
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InChIKey
CGFMUJGGEUGESY-BXUZGUMPSA-N
Physicochemical Property
logP
2.2568
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
45.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 10236295
SID: 15238169
ChEMBL ID
CHEMBL258031
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
CL000022 SH-EP1 Homo sapiens (Human)  1
1
EC50 = 81 nM
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