General Information of the Compound
Compound ID
CP0921708
Compound Name
N-(3,5-bis(trifluoromethyl)phenyl)-1-(2-(hydroxymethyl)-6-methylphenyl)-3-isopropyl-5-oxopyrrolidine-3-carboxamide
    Show/Hide
Structure
Formula
C24H24F6N2O3
Molecular Weight
502.455
Canonical SMILES
Cc1cccc(CO)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O
    Show/Hide
InChI
InChI=1S/C24H24F6N2O3/c1-13(2)22(10-19(34)32(12-22)20-14(3)5-4-6-15(20)11-33)21(35)31-18-8-16(23(25,26)27)7-17(9-18)24(28,29)30/h4-9,13,33H,10-12H2,1-3H3,(H,31,35)
    Show/Hide
InChIKey
JYUZZLGHXNFIIM-UHFFFAOYSA-N
Physicochemical Property
logP
5.54272
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
69.64
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 51034791
SID: 117694986
ChEMBL ID
CHEMBL3973464
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 < 30 nM
   TI
   LI
   LO
   TS