General Information of the Compound
Compound ID
CP0949913
Compound Name
N-(3,5-bis(trifluoromethyl)phenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
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Structure
Formula
C19H14F6N2O2
Molecular Weight
416.321
Canonical SMILES
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(=O)N(c2ccccc2)C1
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InChI
InChI=1S/C19H14F6N2O2/c20-18(21,22)12-7-13(19(23,24)25)9-14(8-12)26-17(29)11-6-16(28)27(10-11)15-4-2-1-3-5-15/h1-5,7-9,11H,6,10H2,(H,26,29)
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InChIKey
SKVDCOUDHMFXFY-UHFFFAOYSA-N
Physicochemical Property
logP
4.7158
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 2981576
ChEMBL ID
CHEMBL3940027
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