General Information of the Compound
Compound ID
CP0541755
Compound Name
3-(1-benzylpiperidin-4-yl)-5,5-diphenyl-imidazolidin-2,4-dione
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Structure
Formula
C27H27N3O2
Molecular Weight
425.532
Canonical SMILES
O=C1NC(C(=O)N1C1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C27H27N3O2/c31-25-27(22-12-6-2-7-13-22,23-14-8-3-9-15-23)28-26(32)30(25)24-16-18-29(19-17-24)20-21-10-4-1-5-11-21/h1-15,24H,16-20H2,(H,28,32)
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InChIKey
UHYXERRLBRDGAY-UHFFFAOYSA-N
Physicochemical Property
logP
4.1466
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
52.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
32

"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: 16125158
SID: 24773900
ChEMBL ID
CHEMBL223029
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 = 2185 nM
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