General Information of the Compound
Compound ID
CP0930857
Compound Name
N-(3-cyclopropyl-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
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Structure
Formula
C23H23F3N2O2
Molecular Weight
416.443
Canonical SMILES
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)CC1=O
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InChI
InChI=1S/C23H23F3N2O2/c1-13-4-3-5-14(2)21(13)28-12-17(10-20(28)29)22(30)27-19-9-16(15-6-7-15)8-18(11-19)23(24,25)26/h3-5,8-9,11,15,17H,6-7,10,12H2,1-2H3,(H,27,30)
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InChIKey
VIFSFFNTNVNAJW-UHFFFAOYSA-N
Physicochemical Property
logP
5.19124
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 68365513
ChEMBL ID
CHEMBL3913711
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
   TI
   LI
   LO
   TS