General Information of the Compound
Compound ID
CP0535382
Compound Name
3-(4-allylmorpholin-2-yl)phenol
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Structure
Formula
C13H17NO2
Molecular Weight
219.284
Canonical SMILES
Oc1cccc(c1)C1CN(CC=C)CCO1
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InChI
InChI=1S/C13H17NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h2-5,9,13,15H,1,6-8,10H2
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InChIKey
ABXIURKZPIWOPL-UHFFFAOYSA-N
Physicochemical Property
logP
1.9515
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
32.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 44443903
ChEMBL ID
CHEMBL398480
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: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1312 nM
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