General Information of the Compound
Compound ID
CP0862413
Compound Name
N-(3,5-bis(trifluoromethyl)phenyl)-3-isopropyl-5-oxo-1-(2-vinylphenyl)pyrrolidine-3-carboxamide
    Show/Hide
Structure
Formula
C24H22F6N2O2
Molecular Weight
484.44
Canonical SMILES
C=Cc1ccccc1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O
    Show/Hide
InChI
InChI=1S/C24H22F6N2O2/c1-4-15-7-5-6-8-19(15)32-13-22(14(2)3,12-20(32)33)21(34)31-18-10-16(23(25,26)27)9-17(11-18)24(28,29)30/h4-11,14H,1,12-13H2,2-3H3,(H,31,34)
    Show/Hide
InChIKey
DQHQCWRLOWJDNQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.385
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
34

"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: 51034453
SID: 117694634
ChEMBL ID
CHEMBL3934117
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