General Information of the Compound
Compound ID
CP0962216
Compound Name
methyl 3-((4-morpholinophenoxy)methyl)benzoate
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Structure
Formula
C19H21NO4
Molecular Weight
327.38
Canonical SMILES
COC(=O)c1cccc(COc2ccc(N3CCOCC3)cc2)c1
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InChI
InChI=1S/C19H21NO4/c1-22-19(21)16-4-2-3-15(13-16)14-24-18-7-5-17(6-8-18)20-9-11-23-12-10-20/h2-8,13H,9-12,14H2,1H3
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InChIKey
JDTVBBKGCUNDOW-UHFFFAOYSA-N
Physicochemical Property
logP
2.8888
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 155153754
ChEMBL ID
CHEMBL4878462
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: PT06353, Mas-related G-protein coupled receptor member X4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1000 nM
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