General Information of the Compound
Compound ID
CP0181540
Compound Name
2-morpholino-1,1,2-triphenylethanol
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Synonyms
2-morpholino-1,1,2-triphenylethanol
CHEMBL1091863
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Structure
Formula
C24H25NO2
Molecular Weight
359.469
Canonical SMILES
OC(C(N1CCOCC1)c1ccccc1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H25NO2/c26-24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23(20-10-4-1-5-11-20)25-16-18-27-19-17-25/h1-15,23,26H,16-19H2
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InChIKey
HOPDHEHFNMVVFR-UHFFFAOYSA-N
Physicochemical Property
logP
3.996
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
32.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 46885513
ChEMBL ID
CHEMBL1091863
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 204 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-morpholino-1,1,2-triphenylethanol )
Drug Name 2-morpholino-1,1,2-triphenylethanol
Target(s)
Voltage-gated potassium channel Kv1.5 (KCNA5)
Inhibitor