General Information of the Compound
Compound ID
CP0862409
Compound Name
N-(3,5-bis(trifluoromethyl)phenyl)-1-(2-(ethoxymethyl)-6-methylphenyl)-3-isopropyl-5-oxopyrrolidine-3-carboxamide
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Structure
Formula
C26H28F6N2O3
Molecular Weight
530.509
Canonical SMILES
CCOCc1cccc(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/C26H28F6N2O3/c1-5-37-13-17-8-6-7-16(4)22(17)34-14-24(15(2)3,12-21(34)35)23(36)33-20-10-18(25(27,28)29)9-19(11-20)26(30,31)32/h6-11,15H,5,12-14H2,1-4H3,(H,33,36)
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InChIKey
XTILZEVYAIFEKT-UHFFFAOYSA-N
Physicochemical Property
logP
6.58692
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
37

"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: 88954670
ChEMBL ID
CHEMBL3967737
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