General Information of the Compound
Compound ID
CP0412081
Compound Name
2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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Structure
Formula
C23H24N2O3
Molecular Weight
376.456
Canonical SMILES
Cc1ccc(o1)C1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
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InChI
InChI=1S/C23H24N2O3/c1-13-7-4-5-8-16(13)25-23(27)20-15(3)24-17-9-6-10-18(26)21(17)22(20)19-12-11-14(2)28-19/h4-5,7-8,11-12,22,24H,6,9-10H2,1-3H3,(H,25,27)
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InChIKey
YBENFJDXFJLIHT-UHFFFAOYSA-N
Physicochemical Property
logP
4.50304
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
71.34
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 651809
ChEMBL ID
CHEMBL4449702
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)  1
1
EC50 = 1096.48 nM
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