General Information of the Compound
Compound ID
CP0435996
Compound Name
3-(1-(2-methoxybenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
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Structure
Formula
C28H31N3O2
Molecular Weight
441.575
Canonical SMILES
COc1ccccc1CN1CCC(CC1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C28H31N3O2/c1-33-26-15-9-8-10-22(26)20-30-18-16-25(17-19-30)31-21-28(29-27(31)32,23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-15,25H,16-21H2,1H3,(H,29,32)
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InChIKey
FICJSUGPVTUXMP-UHFFFAOYSA-N
Physicochemical Property
logP
4.6286
Rotatable Bonds
6
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: 16125570
SID: 24774305
ChEMBL ID
CHEMBL388541
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: 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 = 83.7 nM
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