General Information of the Compound
Compound ID
CP0362381
Compound Name
4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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Structure
Formula
C22H24Cl2N2O2
Molecular Weight
419.352
Canonical SMILES
CC1=C(C(C2CCCC2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl
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InChI
InChI=1S/C22H24Cl2N2O2/c1-12-19(22(28)26-17-11-14(23)9-10-15(17)24)20(13-5-2-3-6-13)21-16(25-12)7-4-8-18(21)27/h9-11,13,20,25H,2-8H2,1H3,(H,26,28)
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InChIKey
VYVLVKWKYPVYCT-UHFFFAOYSA-N
Physicochemical Property
logP
5.6226
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 155546001
ChEMBL ID
CHEMBL4530642
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 = 162.18 nM
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