General Information of the Compound
Compound ID
CP0498127
Compound Name
N,N-diethyl-9-oxoacridine-10-carboxamide
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Structure
Formula
C18H18N2O2
Molecular Weight
294.354
Canonical SMILES
CCN(CC)C(=O)n1c2ccccc2c(=O)c2ccccc12
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InChI
InChI=1S/C18H18N2O2/c1-3-19(4-2)18(22)20-15-11-7-5-9-13(15)17(21)14-10-6-8-12-16(14)20/h5-12H,3-4H2,1-2H3
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InChIKey
DRDBQTMAQZKVRA-UHFFFAOYSA-N
Physicochemical Property
logP
3.4646
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
42.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 71455547
SID: 163507015
ChEMBL ID
CHEMBL2180146
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: PT02908, P2X purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 = 39100 nM
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