General Information of the Compound
Compound ID
CP0421813
Compound Name
1-(2-hydroxy-5-(4-propylmorpholin-2-yl)phenyl)ethanone
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Structure
Formula
C15H21NO3
Molecular Weight
263.337
Canonical SMILES
CCCN1CCOC(C1)c1ccc(O)c(c1)C(C)=O
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InChI
InChI=1S/C15H21NO3/c1-3-6-16-7-8-19-15(10-16)12-4-5-14(18)13(9-12)11(2)17/h4-5,9,15,18H,3,6-8,10H2,1-2H3
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InChIKey
CEMMDGPACIPECZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.3781
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 44443945
ChEMBL ID
CHEMBL249588
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 > 1000 nM
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