General Information of the Compound
Compound ID
CP0905634
Compound Name
1-(2,6-dimethylphenyl)-N-(3-morpholino-5-(trifluoromethyl)phenyl)-5-oxopyrrolidine-3-carboxamide
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Structure
Formula
C24H26F3N3O3
Molecular Weight
461.484
Canonical SMILES
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)CC1=O
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InChI
InChI=1S/C24H26F3N3O3/c1-15-4-3-5-16(2)22(15)30-14-17(10-21(30)31)23(32)28-19-11-18(24(25,26)27)12-20(13-19)29-6-8-33-9-7-29/h3-5,11-13,17H,6-10,14H2,1-2H3,(H,28,32)
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InChIKey
AMBDZUZGECLVGO-UHFFFAOYSA-N
Physicochemical Property
logP
4.15044
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
61.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 68365552
ChEMBL ID
CHEMBL3903711
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