General Information of the Compound
Compound ID
CP0008033
Compound Name
4-(6-phenylpyridazin-3-yl)morpholine
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Structure
Formula
C14H15N3O
Molecular Weight
241.294
Canonical SMILES
C1CN(CCO1)c1ccc(nn1)-c1ccccc1
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InChI
InChI=1S/C14H15N3O/c1-2-4-12(5-3-1)13-6-7-14(16-15-13)17-8-10-18-11-9-17/h1-7H,8-11H2
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InChIKey
VXNFJTPCSZEJRY-UHFFFAOYSA-N
Physicochemical Property
logP
1.9802
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
38.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 24784339
SID: 49708734
ChEMBL ID
CHEMBL3422587
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
   TI
   LI
   LO
   TS