General Information of the Compound
Compound ID
CP0006822
Compound Name
(R)-4-chloro-N-(quinuclidin-3-yl)benzamide
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Structure
Formula
C14H17ClN2O
Molecular Weight
264.756
Canonical SMILES
Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2
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InChI
InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
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InChIKey
WECKJONDRAUFDD-ZDUSSCGKSA-N
Physicochemical Property
logP
2.164
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 9795278
SID: 14799085
ChEMBL ID
CHEMBL177611
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 = 128 nM
   TI
   LI
   LO
   TS
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
Ki = 24.55 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 26 nM