General Information of the Compound
Compound ID
CP0569006
Compound Name
3-phenoxy-8-azabicyclo[3.2.1]octane
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Structure
Formula
C13H17NO
Molecular Weight
203.285
Canonical SMILES
C1CC2CC(CC1N2)Oc1ccccc1
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InChI
InChI=1S/C13H17NO/c1-2-4-12(5-3-1)15-13-8-10-6-7-11(9-13)14-10/h1-5,10-11,13-14H,6-9H2
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InChIKey
HQWOOKZKFBMBCD-UHFFFAOYSA-N
Physicochemical Property
logP
2.3484
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 66927758
ChEMBL ID
CHEMBL4861851
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 = 5655 nM
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