General Information of the Compound
Compound ID
CP0446118
Compound Name
N-[2-[2-(2-benzamidophenoxy)ethoxy]phenyl]benzamide
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Structure
Formula
C28H24N2O4
Molecular Weight
452.51
Canonical SMILES
O=C(Nc1ccccc1OCCOc1ccccc1NC(=O)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C28H24N2O4/c31-27(21-11-3-1-4-12-21)29-23-15-7-9-17-25(23)33-19-20-34-26-18-10-8-16-24(26)30-28(32)22-13-5-2-6-14-22/h1-18H,19-20H2,(H,29,31)(H,30,32)
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InChIKey
BWRJYFLQFYQEGV-UHFFFAOYSA-N
Physicochemical Property
logP
5.649
Rotatable Bonds
9
Heavy Atom Count
34
Polar Areas
76.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 40456486
SID: 163507021
ChEMBL ID
CHEMBL2180157
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 > 10000 nM
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