General Information of the Compound
Compound ID
CP0003309
Compound Name
5-morpholin-4-yl-N-(4-pyridin-4-ylphenyl)pentanamide
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Structure
Formula
C20H25N3O2
Molecular Weight
339.439
Canonical SMILES
O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1ccncc1
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InChI
InChI=1S/C20H25N3O2/c24-20(3-1-2-12-23-13-15-25-16-14-23)22-19-6-4-17(5-7-19)18-8-10-21-11-9-18/h4-11H,1-3,12-16H2,(H,22,24)
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InChIKey
QLAPKEAYHOUXGH-UHFFFAOYSA-N
Physicochemical Property
logP
3.1896
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 118735736
ChEMBL ID
CHEMBL3422580
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: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000029 GH4C1 Rattus norvegicus (Rat)  1
1
EC50 = 522 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 350 nM
   TI
   LI
   LO
   TS