General Information of the Compound
Compound ID
CP0412080
Compound Name
4-ethyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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Structure
Formula
C20H24N2O2
Molecular Weight
324.424
Canonical SMILES
CCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
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InChI
InChI=1S/C20H24N2O2/c1-4-14-18(20(24)22-15-9-6-5-8-12(15)2)13(3)21-16-10-7-11-17(23)19(14)16/h5-6,8-9,14,21H,4,7,10-11H2,1-3H3,(H,22,24)
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InChIKey
LFMYJAAKNQNJCP-UHFFFAOYSA-N
Physicochemical Property
logP
3.84402
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 155536193
ChEMBL ID
CHEMBL4473184
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 = 354.81 nM
   TI
   LI
   LO
   TS
2
EC50 = 4168.69 nM
   TI
   LI
   LO
   TS