General Information of the Compound
Compound ID
CP0136024
Compound Name
(R)-3-(4-propylmorpholin-2-yl)phenol
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Synonyms
(R)-3-(4-propylmorpholin-2-yl)phenol
710654-74-3
BDBM50226008
CHEMBL250403
DTXSID90430791
KB-274981
SCHEMBL2078437
ZINC26822913
pf-219061
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Structure
Formula
C13H19NO2
Molecular Weight
221.3
Canonical SMILES
CCCN1CCO[C@@H](C1)c1cccc(O)c1
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InChI
InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1
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InChIKey
WYEGTIGJSHGEID-ZDUSSCGKSA-N
Physicochemical Property
logP
2.1755
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: 9794475
SID: 14749121
ChEMBL ID
CHEMBL250403
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (R)-3-(4-propylmorpholin-2-yl)phenol )
Drug Name (R)-3-(4-propylmorpholin-2-yl)phenol
Target(s)
5-HT 2A receptor (HTR2A)
 Target Info 
Inhibitor