General Information of the Compound
Compound ID
CP0445630
Compound Name
3-(1-benzyl-piperidin-4-yl)-5,5-dibenzyl-imidazolidine-2,4-dione
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Structure
Formula
C29H33N3O
Molecular Weight
439.603
Canonical SMILES
O=C1NC(Cc2ccccc2)(Cc2ccccc2)CN1C1CCN(Cc2ccccc2)CC1
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InChI
InChI=1S/C29H33N3O/c33-28-30-29(20-24-10-4-1-5-11-24,21-25-12-6-2-7-13-25)23-32(28)27-16-18-31(19-17-27)22-26-14-8-3-9-15-26/h1-15,27H,16-23H2,(H,30,33)
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InChIKey
VPDMCJAWFJFKGY-UHFFFAOYSA-N
Physicochemical Property
logP
4.9004
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 16125437
SID: 24774178
ChEMBL ID
CHEMBL221713
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 = 2952 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 = 152 nM
   TI
   LI
   LO
   TS