General Information of the Compound
Compound ID
CP0869157
Compound Name
N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-5-oxo-3-propylpyrrolidine-3-carboxamide
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Structure
Formula
C24H24F6N2O2
Molecular Weight
486.456
Canonical SMILES
CCCC1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)N(c2c(C)cccc2C)C1
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InChI
InChI=1S/C24H24F6N2O2/c1-4-8-22(12-19(33)32(13-22)20-14(2)6-5-7-15(20)3)21(34)31-18-10-16(23(25,26)27)9-17(11-18)24(28,29)30/h5-7,9-11H,4,8,12-13H2,1-3H3,(H,31,34)
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InChIKey
WOABOWCRZPETBK-UHFFFAOYSA-N
Physicochemical Property
logP
6.50294
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).

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PubChem ID
CID: 51034999
SID: 117695190
ChEMBL ID
CHEMBL3945931
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