General Information of the Compound
Compound ID
CP0395626
Compound Name
4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
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Structure
Formula
C19H21N3O2
Molecular Weight
323.396
Canonical SMILES
C(CN1CCOCC1)Oc1ccn(n1)-c1ccc2ccccc2c1
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InChI
InChI=1S/C19H21N3O2/c1-2-4-17-15-18(6-5-16(17)3-1)22-8-7-19(20-22)24-14-11-21-9-12-23-13-10-21/h1-8,15H,9-14H2
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InChIKey
WCZLJWBBNSGTEU-UHFFFAOYSA-N
Physicochemical Property
logP
2.7365
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
39.52
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: 71460636
SID: 163489040
ChEMBL ID
CHEMBL2170063
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
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 = 33.3 nM
   TI
   LI
   LO
   TS