General Information of the Compound
Compound ID
CP0532140
Compound Name
3-(1-(4-imidazolylmethyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
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Structure
Formula
C24H27N5O
Molecular Weight
401.514
Canonical SMILES
O=C1NC(CN1C1CCN(Cc2cnc[nH]2)CC1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H27N5O/c30-23-27-24(19-7-3-1-4-8-19,20-9-5-2-6-10-20)17-29(23)22-11-13-28(14-12-22)16-21-15-25-18-26-21/h1-10,15,18,22H,11-14,16-17H2,(H,25,26)(H,27,30)
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InChIKey
RRHMCEJLGKCOGL-UHFFFAOYSA-N
Physicochemical Property
logP
3.3431
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
64.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 16125565
SID: 24774300
ChEMBL ID
CHEMBL223022
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 = 1056 nM
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