General Information of the Compound
Compound ID
CP0566524
Compound Name
4-(3-phenylpropyl)morpholine
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Structure
Formula
C13H19NO
Molecular Weight
205.301
Canonical SMILES
C(CN1CCOCC1)Cc1ccccc1
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InChI
InChI=1S/C13H19NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6H,4,7-12H2
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InChIKey
LEIREMDVERZAKS-UHFFFAOYSA-N
Physicochemical Property
logP
1.9514
Rotatable Bonds
4
Heavy Atom Count
15
Polar Areas
12.47
Hydrogen Bond Donor Count
0
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: 782728
SID: 16167504
ChEMBL ID
CHEMBL1562542
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: PT04903, Sigma intracellular receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 2019 nM
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