General Information of the Compound
Compound ID
CP0451718
Compound Name
3-(1-benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidin-2-one
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Structure
Formula
C27H28N2O2
Molecular Weight
412.533
Canonical SMILES
O=C1OC(CN1C1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C27H28N2O2/c30-26-29(25-16-18-28(19-17-25)20-22-10-4-1-5-11-22)21-27(31-26,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25H,16-21H2
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InChIKey
POWPGJYSOCFEPI-UHFFFAOYSA-N
Physicochemical Property
logP
5.047
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 16124710
SID: 24773412
ChEMBL ID
CHEMBL225387
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 = 908 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 = 16.8 nM
   TI
   LI
   LO
   TS