General Information of the Compound
Compound ID
CP0496090
Compound Name
2-Chloro-5-((R)-1-pyrrolidin-2-ylmethoxy)-pyridine
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Structure
Formula
C10H13ClN2O
Molecular Weight
212.68
Canonical SMILES
Clc1ccc(OC[C@H]2CCCN2)cn1
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InChI
InChI=1S/C10H13ClN2O/c11-10-4-3-9(6-13-10)14-7-8-2-1-5-12-8/h3-4,6,8,12H,1-2,5,7H2/t8-/m1/s1
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InChIKey
AVMMTWYIFAHXNS-MRVPVSSYSA-N
Physicochemical Property
logP
1.8658
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
34.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 10512747
SID: 15538054
ChEMBL ID
CHEMBL334860
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: PT02515, Neuronal acetylcholine receptor subunit alpha-3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32 Homo sapiens (Human)  1
1
EC50 = 500 nM
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