General Information of the Compound
Compound ID
CP0164874
Compound Name
3-Phenyl-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-pyridin-2-one
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Structure
Formula
C23H24N2O
Molecular Weight
344.458
Canonical SMILES
O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C23H24N2O/c26-23-21(19-10-3-1-4-11-19)14-9-17-25(23)22(18-24-15-7-8-16-24)20-12-5-2-6-13-20/h1-6,9-14,17,22H,7-8,15-16,18H2
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InChIKey
CMEOQHOBYZAUEU-UHFFFAOYSA-N
Physicochemical Property
logP
4.2005
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 44269902
ChEMBL ID
CHEMBL278268
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: PT01200, Delta-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 10000 nM
Protein ID: PT01515, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 10000 nM