General Information of the Compound
Compound ID
CP0556290
Compound Name
2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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Structure
Formula
C26H26N2O2
Molecular Weight
398.506
Canonical SMILES
CC1=C(C(\C=C\c2ccccc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C
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InChI
InChI=1S/C26H26N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,15-16,20,27H,8,13-14H2,1-2H3,(H,28,30)/b16-15+
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InChIKey
CDJOWDZMIXHTHD-FOCLMDBBSA-N
Physicochemical Property
logP
5.14742
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: 155516295
ChEMBL ID
CHEMBL4443269
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 = 724.44 nM
   TI
   LI
   LO
   TS
2
EC50 = 45708.82 nM
   TI
   LI
   LO
   TS