General Information of the Compound
Compound ID
CP0377561
Compound Name
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
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Structure
Formula
C20H18ClN3O2
Molecular Weight
367.836
Canonical SMILES
Cc1ccc(cc1C)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
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InChI
InChI=1S/C20H18ClN3O2/c1-12-6-7-17(8-13(12)2)24-11-15(10-18(24)25)20-22-19(23-26-20)14-4-3-5-16(21)9-14/h3-9,15H,10-11H2,1-2H3
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InChIKey
GXCPDQPSBLIMLF-UHFFFAOYSA-N
Physicochemical Property
logP
4.52734
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
59.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 16956789
SID: 163453315
ChEMBL ID
CHEMBL2071579
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  2
1
EC50 = 310 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS