General Information of the Compound
Compound ID
CP0382947
Compound Name
4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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Structure
Formula
C26H28N2O2
Molecular Weight
400.522
Canonical SMILES
CCc1ccc(cc1)C1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
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InChI
InChI=1S/C26H28N2O2/c1-4-18-12-14-19(15-13-18)24-23(26(30)28-20-9-6-5-8-16(20)2)17(3)27-21-10-7-11-22(29)25(21)24/h5-6,8-9,12-15,24,27H,4,7,10-11H2,1-3H3,(H,28,30)
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InChIKey
VJEHNGRJRSDSME-UHFFFAOYSA-N
Physicochemical Property
logP
5.16402
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 3142521
ChEMBL ID
CHEMBL4551085
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: PT03133, Free fatty acid receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000460 Flp-In-T-REx-293 Homo sapiens (Human)  2
1
EC50 = 6760.83 nM
   TI
   LI
   LO
   TS
2
EC50 = 83176.38 nM
   TI
   LI
   LO
   TS