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Compound InformationSONAR Target prediction
Name:

(±)-Normetanephrine hydrochloride

Unique Identifier:LOPAC 00129
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9ClH14NO3
Molecular Weight:205.554 g/mol
X log p:5.672  (online calculus)
Lipinksi Failures1
TPSA9.23
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:Cl.COc1cc(ccc1O)C(O)CN
Class:Adrenoceptor
Action:Metabolite
Selectivity:Norepinephrine

Found: 24 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7637±0.0691523
Normalized OD Score: sc h 1.0149±0.00588172
Z-Score: 0.6779±0.18174
p-Value: 0.497808
Z-Factor: -4.10505
Fitness Defect: 0.6975
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04756875±0.00100
Plate DMSO Control (-):0.7615562500000002±0.04256
Plate Z-Factor:0.8396
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DBLink | Rows returned: 6
1237 4-(2-amino-1-hydroxy-ethyl)-2-methoxy-phenol
102542 4-(2-amino-1-hydroxy-ethyl)-2-methoxy-phenol hydrochloride
688099 4-[(1S)-2-amino-1-hydroxy-ethyl]-2-methoxy-phenol
688100 4-[(1R)-2-amino-1-hydroxy-ethyl]-2-methoxy-phenol
6921601 [(2S)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)ethyl]azanium
6921602 [(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)ethyl]azanium

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 15753 | Additional Members: 7 | Rows returned: 6
LOPAC 00135 0.454545454545455
Prest1148 0.454545454545455
SPE01500639 0.454545454545455
LOPAC 00130 0
LOPAC 00648 0
SPE01500436 0

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