General Information of the Compound
Compound ID
CP0538661
Compound Name
3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane
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Structure
Formula
C13H16ClNO
Molecular Weight
237.73
Canonical SMILES
Clc1ccccc1OC1CC2CCC(C1)N2
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InChI
InChI=1S/C13H16ClNO/c14-12-3-1-2-4-13(12)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2
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InChIKey
MJWXDPDEDHUUJV-UHFFFAOYSA-N
Physicochemical Property
logP
3.0018
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 76008193
ChEMBL ID
CHEMBL4873377
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: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 881 nM
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