OCTOPAMINE HYDROCHLORIDE

/static/temp/default.svg Search structure
Molecule Category Salt-form
UNII 37YAS5L9HQ
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key PUMZXCBVHLCWQG-UHFFFAOYSA-N
Smiles Cl.NCC(O)c1ccc(O)cc1
InChI
InChI=1S/C8H11NO2.ClH/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-4,8,10-11H,5,9H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12ClNO2
Molecular Weight 189.64
AlogP 0.18
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 66.48
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Chilo suppressalis
978 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL1367565
FDA SRS 37YAS5L9HQ
PubChem 102484
SureChEMBL SCHEMBL1168914
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