General Information of the Compound
Compound ID
CP0000177
Compound Name
(2S,3S)-2-Biphenyl-4-yl-3,5,5-trimethylmorpholin-2-ol
    Show/Hide
Structure
Formula
C19H23NO2
Molecular Weight
297.398
Canonical SMILES
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(cc1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C19H23NO2/c1-14-19(21,22-13-18(2,3)20-14)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,20-21H,13H2,1-3H3/t14-,19+/m0/s1
    Show/Hide
InChIKey
CWQJTYANMLPKAM-IFXJQAMLSA-N
Physicochemical Property
logP
3.2856
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
41.49
Hydrogen Bond Donor Count
2
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: 46837783
SID: 99221044
ChEMBL ID
CHEMBL1173701
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: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10300 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS