General Information of the Compound
Compound ID
CP0465221
Compound Name
N-(2-morpholin-4-ylphenyl)-2-quinolin-8-yloxyacetamide
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Structure
Formula
C21H21N3O3
Molecular Weight
363.417
Canonical SMILES
O=C(COc1cccc2cccnc12)Nc1ccccc1N1CCOCC1
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InChI
InChI=1S/C21H21N3O3/c25-20(15-27-19-9-3-5-16-6-4-10-22-21(16)19)23-17-7-1-2-8-18(17)24-11-13-26-14-12-24/h1-10H,11-15H2,(H,23,25)
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InChIKey
ZJRDHGFMVANNGO-UHFFFAOYSA-N
Physicochemical Property
logP
3.0889
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
63.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 4879545
ChEMBL ID
CHEMBL1480490
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: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 980 nM
   TI
   LI
   LO
   TS
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 31 nM
   TI
   LI
   LO
   TS
2
IC50 = 10000 nM
   TI
   LI
   LO
   TS