General Information of the Compound
| Compound ID |
CP0072120
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| Compound Name |
(-)-(S)-Propranolol
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| Structure |
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| Formula |
C16H21NO2
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| Molecular Weight |
259.349
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1cccc2ccccc12
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| InChI |
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
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| InChIKey |
AQHHHDLHHXJYJD-AWEZNQCLSA-N
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| CAS |
4199-09-1
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT06095, Hepatic sodium/bile acid cotransporter
Protein ID: PT05586, Nuclear receptor subfamily 2 group E member 1