General Information of the Compound
Compound ID
CP0941927
Compound Name
N-(3,5-bis(trifluoromethyl)phenyl)-3-isopropyl-1-(2-methoxy-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
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Structure
Formula
C24H24F6N2O3
Molecular Weight
502.455
Canonical SMILES
COc1cccc(C)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O
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InChI
InChI=1S/C24H24F6N2O3/c1-13(2)22(11-19(33)32(12-22)20-14(3)6-5-7-18(20)35-4)21(34)31-17-9-15(23(25,26)27)8-16(10-17)24(28,29)30/h5-10,13H,11-12H2,1-4H3,(H,31,34)
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InChIKey
ZXWCWGRYPNAPSY-UHFFFAOYSA-N
Physicochemical Property
logP
6.05902
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
35

"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: 51034794
SID: 117694989
ChEMBL ID
CHEMBL3926187
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