General Information of the Compound
Compound ID
CP0547786
Compound Name
4-[2-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
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Structure
Formula
C20H23N3O2
Molecular Weight
337.423
Canonical SMILES
Cc1cc(OCCN2CCOCC2)n(n1)-c1ccc2ccccc2c1
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InChI
InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)23(21-16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
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InChIKey
NWCBWZLAEWEZHL-UHFFFAOYSA-N
Physicochemical Property
logP
3.04492
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
39.52
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 71453455
SID: 163489043
ChEMBL ID
CHEMBL2170045
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: PT01509, Sigma non-opioid intracellular receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS