General Information of the Compound
Compound ID
CP0249926
Compound Name
1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2-ol
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Synonyms
(+)-1-(o-(Allyloxy)phenoxy)-3-(isopropylamino)propan-2-ol
(+-)-Oxprenolol
(1)-1-(o-(Allyloxy)phenoxy)-3-(isopropylamino)propan-2-ol
1-((1-Methylethyl)amino)-3-(2-(2-propenyloxy)phenoxy)-2-propanol
1-(Isopropylamino)-2-hydroxy-3-(o-(allyloxy)phenoxy)propane
1-(o-(Allyloxy)phenoxy)-3-(isopropylamino)-2-propanol
1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol
1-[(1-Methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-2-propanol
1-[2-(Allyloxy)phenoxy]-3-(isopropylamino)-2-propanol
Captol (TN)
Corbeton (TN)
Coretal
Coretal (*hydrochloride*)
Coretal (TN)
Dl-Alprenolol
Dl-Oxprenolol
Koretal
Laracor
Laracor (*hydrochloride*)
Laracor (TN)
Osprenololo
Osprenololo [DCIT]
Oxprenolol
Oxprenolol (INN)
Oxprenolol (TN)
Oxprenolol Ba 39089 (*hydrochloride*)
Oxprenolol [INN:BAN]
Oxprenololum
Oxprenololum [INN-Latin]
Slow Trasicor
Slow-Pren (*hydrochloride*)
Slow-Pren (TN)
Slow-Trasicor (TN)
Slow-pren
Tevacor
Tevacor (TN);Trasacor (TN)
Trasacor
Trasacor (*hydrochloride*)
Trasicor
Trasicor (*hydrochloride*)
Trasicor (TN)
Trasicor 80
Trasidex (TN)
Trasitensin (TN)
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Structure
Formula
C15H23NO3
Molecular Weight
265.353
Canonical SMILES
CC(C)NCC(O)COc1ccccc1OCC=C
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InChI
InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
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InChIKey
CEMAWMOMDPGJMB-UHFFFAOYSA-N
CAS
22972-98-1
22972-96-9
71186-75-9
Physicochemical Property
logP
1.9891
Rotatable Bonds
9
Heavy Atom Count
19
Polar Areas
50.72
Hydrogen Bond Donor Count
2
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: 4631
SID: 14750338
ChEMBL ID
CHEMBL546
DrugBank ID
DB01580
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: PT03795, Solute carrier family 22 member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 28600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Oxprenolol )
Drug Name Oxprenolol
Indication
Hypertension
Approved
Target(s)
Adrenergic receptor beta-1 (ADRB1)
 Target Info 
Antagonist