General Information of the Compound
Compound ID
CP0560769
Compound Name
2-methoxyethyl 3-(4-ethoxyphenyl)benzoate
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Formula
C18H20O4
Molecular Weight
300.354
Canonical SMILES
CCOc1ccc(cc1)-c1cccc(c1)C(=O)OCCOC
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InChI
InChI=1S/C18H20O4/c1-3-21-17-9-7-14(8-10-17)15-5-4-6-16(13-15)18(19)22-12-11-20-2/h4-10,13H,3,11-12H2,1-2H3
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InChIKey
AVEBNODLRGAXJR-UHFFFAOYSA-N
Physicochemical Property
logP
3.5555
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
44.76
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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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ChEMBL ID
CHEMBL4743092
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: PT04640, Patatin-like phospholipase domain-containing protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 70000 nM
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