General Information of the Compound
Compound ID
CP0006719
Compound Name
N-[4-(2-fluoropyridin-3-yl)phenyl]-5-morpholin-4-ylpentanamide
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Structure
Formula
C20H24FN3O2
Molecular Weight
357.429
Canonical SMILES
Fc1ncccc1-c1ccc(NC(=O)CCCCN2CCOCC2)cc1
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InChI
InChI=1S/C20H24FN3O2/c21-20-18(4-3-10-22-20)16-6-8-17(9-7-16)23-19(25)5-1-2-11-24-12-14-26-15-13-24/h3-4,6-10H,1-2,5,11-15H2,(H,23,25)
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InChIKey
YWJXRPRLPSIVDM-UHFFFAOYSA-N
Physicochemical Property
logP
3.3287
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 118735737
ChEMBL ID
CHEMBL3422581
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)  2
1
EC50 = 145 nM
   TI
   LI
   LO
   TS
2
EC50 = 27300 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 85 nM
   TI
   LI
   LO
   TS