General Information of the Compound
Compound ID
CP0537610
Compound Name
4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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Structure
Formula
C23H28N2O2
Molecular Weight
364.489
Canonical SMILES
CC1=C(C(C2CCCC2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C
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InChI
InChI=1S/C23H28N2O2/c1-14-8-3-6-11-17(14)25-23(27)20-15(2)24-18-12-7-13-19(26)22(18)21(20)16-9-4-5-10-16/h3,6,8,11,16,21,24H,4-5,7,9-10,12-13H2,1-2H3,(H,25,27)
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InChIKey
FTXMZBSYRAZADP-UHFFFAOYSA-N
Physicochemical Property
logP
4.62422
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 155539179
ChEMBL ID
CHEMBL4513816
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 = 288.4 nM
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