General Information of the Compound
Compound ID
CP0443505
Compound Name
(2S)-4-(naphthalen-2-ylmethyl)-2-(phenoxymethyl)morpholine
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Structure
Formula
C22H23NO2
Molecular Weight
333.431
Canonical SMILES
C(Oc1ccccc1)[C@@H]1CN(Cc2ccc3ccccc3c2)CCO1
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InChI
InChI=1S/C22H23NO2/c1-2-8-21(9-3-1)25-17-22-16-23(12-13-24-22)15-18-10-11-19-6-4-5-7-20(19)14-18/h1-11,14,22H,12-13,15-17H2/t22-/m0/s1
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InChIKey
ARGJPNQSHHVEBQ-QFIPXVFZSA-N
Physicochemical Property
logP
4.1196
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
21.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 127053217
ChEMBL ID
CHEMBL3792556
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: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 64 nM
   TI
   LI
   LO
   TS
2
Ki = 17.8 nM
   TI
   LI
   LO
   TS