General Information of the Compound
Compound ID
CP0327799
Compound Name
4-(2-benzyl-1,3-dihydroisoindol-5-yl)morpholine
    Show/Hide
Structure
Formula
C19H22N2O
Molecular Weight
294.398
Canonical SMILES
C(N1Cc2ccc(cc2C1)N1CCOCC1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C19H22N2O/c1-2-4-16(5-3-1)13-20-14-17-6-7-19(12-18(17)15-20)21-8-10-22-11-9-21/h1-7,12H,8-11,13-15H2
    Show/Hide
InChIKey
LWZFMJZOOLLWCB-UHFFFAOYSA-N
Physicochemical Property
logP
3.039
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
15.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 132060733
ChEMBL ID
CHEMBL4161503
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
Ki = 2089 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
Ki = 2466 nM
   TI
   LI
   LO
   TS
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 = 166 nM
   TI
   LI
   LO
   TS