General Information of the Compound
Compound ID
CP0003080
Compound Name
5-morpholin-4-yl-N-(6-phenylpyridazin-3-yl)pentanamide
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Structure
Formula
C19H24N4O2
Molecular Weight
340.427
Canonical SMILES
O=C(CCCCN1CCOCC1)Nc1ccc(nn1)-c1ccccc1
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InChI
InChI=1S/C19H24N4O2/c24-19(8-4-5-11-23-12-14-25-15-13-23)20-18-10-9-17(21-22-18)16-6-2-1-3-7-16/h1-3,6-7,9-10H,4-5,8,11-15H2,(H,20,22,24)
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InChIKey
PGHGBJAQGIJUNE-UHFFFAOYSA-N
Physicochemical Property
logP
2.5846
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
67.35
Hydrogen Bond Donor Count
1
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: 118735739
ChEMBL ID
CHEMBL3422583
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
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   LI
   LO
   TS