General Information of the Compound
Compound ID
CP0011185
Compound Name
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
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Structure
Formula
C18H24N4O3
Molecular Weight
344.415
Canonical SMILES
COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCOCC2)[nH]n1
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InChI
InChI=1S/C18H24N4O3/c1-24-15-6-4-14(5-7-15)16-13-17(21-20-16)19-18(23)3-2-8-22-9-11-25-12-10-22/h4-7,13H,2-3,8-12H2,1H3,(H2,19,20,21,23)
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InChIKey
NBIZFEZAYLVEGQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.1362
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
79.48
Hydrogen Bond Donor Count
2
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: 59173760
SID: 163506431
ChEMBL ID
CHEMBL2180837
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 = 6606.93 nM
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