General Information of the Compound
Compound ID
CP0056505
Compound Name
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
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Synonyms
(+-)-Practolol
1-(4-Acetamidophenoxy)-3-isopropylamino-2-propanol
4'-(2-Hydroxy-3-(isopropylamino)propoxy)acetanilide
AY 21011
Cardiol (TN)
Cordialina (TN)
Dalzic
Dalzic (TN)
Eraldin
Eraldin (TN)
Eraldina (TN)
Eralzdin Practolol
N-(4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide
N-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
N-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide
N-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide
Practolol
Practolol [USAN:BAN:INN]
Practololo
Practololo [DCIT]
Practololum
Practololum [INN-Latin]
Praktol (TN)
Praktololu
Praktololu [Polish]
Pralon (TN)
Teranol
Teranol (TN)
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Structure
Formula
C14H22N2O3
Molecular Weight
266.341
Canonical SMILES
CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
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InChI
InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
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InChIKey
DURULFYMVIFBIR-UHFFFAOYSA-N
CAS
6673-35-4
Physicochemical Property
logP
1.3827
Rotatable Bonds
7
Heavy Atom Count
19
Polar Areas
70.59
Hydrogen Bond Donor Count
3
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: 4883
SID: 15197223
ChEMBL ID
CHEMBL6995
DrugBank ID
DB01297
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: PT05760, Beta-2 adrenergic receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000346 L-5178-Y
 Cell Line Info 
Mus musculus (Mouse)  1
1
Ki = 13500 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Practolol )
Drug Name Practolol
Indication
Cardiac arrhythmias
Approved
Target(s)
Adrenergic receptor beta-1 (ADRB1)
 Target Info 
Antagonist