General Information of the Compound
Compound ID
CP0384323
Compound Name
(+/-)-N-(1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetamide
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Structure
Formula
C19H20N2O2
Molecular Weight
308.381
Canonical SMILES
CC1CC(NC(C)=O)c2ccccc2N1C(=O)c1ccccc1
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InChI
InChI=1S/C19H20N2O2/c1-13-12-17(20-14(2)22)16-10-6-7-11-18(16)21(13)19(23)15-8-4-3-5-9-15/h3-11,13,17H,12H2,1-2H3,(H,20,22)
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InChIKey
FZHLYHQWMXAQPH-UHFFFAOYSA-N
Physicochemical Property
logP
3.3028
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 5197257
ChEMBL ID
CHEMBL1079486
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: PT01171, Prostaglandin D2 receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3620 nM
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