General Information of the Compound
Compound ID
CP0851313
Compound Name
N-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
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Structure
Formula
C19H19ClN2O2
Molecular Weight
342.826
Canonical SMILES
Cc1cccc(C)c1N1CC(C(=O)Nc2cccc(Cl)c2)CC1=O
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InChI
InChI=1S/C19H19ClN2O2/c1-12-5-3-6-13(2)18(12)22-11-14(9-17(22)23)19(24)21-16-8-4-7-15(20)10-16/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)
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InChIKey
NPIOAFMLDGAVAD-UHFFFAOYSA-N
Physicochemical Property
logP
3.94844
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 68365595
ChEMBL ID
CHEMBL3949365
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: PT03813, Chemerin-like receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 < 300 nM
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   LI
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