General Information of the Compound
Compound ID
CP0010616
Compound Name
(R)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carboxamide
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Structure
Formula
C15H17N3O2
Molecular Weight
271.32
Canonical SMILES
O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1
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InChI
InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
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InChIKey
IPKZCLGGYKRDES-ZDUSSCGKSA-N
CAS
478149-53-0
Physicochemical Property
logP
1.6518
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
58.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 9930121
SID: 16652974
ChEMBL ID
CHEMBL214268
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 = 65 nM
   TI
   LI
   LO
   TS
CL000016 IMR-32 Homo sapiens (Human)  1
1
Ki = 7 nM
   TI
   LI
   LO
   TS