General Information of the Compound
Compound ID
CP0532144
Compound Name
3-(1-phenoxyethyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
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Structure
Formula
C28H31N3O2
Molecular Weight
441.575
Canonical SMILES
O=C1NC(CN1C1CCN(CCOc2ccccc2)CC1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C28H31N3O2/c32-27-29-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)22-31(27)25-16-18-30(19-17-25)20-21-33-26-14-8-3-9-15-26/h1-15,25H,16-22H2,(H,29,32)
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InChIKey
YHMNXSIUGYBUAW-UHFFFAOYSA-N
Physicochemical Property
logP
4.4988
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
33

"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: 16125507
SID: 24774244
ChEMBL ID
CHEMBL426393
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: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 328 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 228 nM
   TI
   LI
   LO
   TS