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Compound InformationSONAR Target prediction
Name:

Furosemide

Unique Identifier:LOPAC 00044
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12ClH11N2O5S
Molecular Weight:319.658 g/mol
X log p:9.278  (online calculus)
Lipinksi Failures1
TPSA71.81
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:6
Canonical Smiles:NS(=O)Oc1cc(C(O)=O)c(NCc2occc2)cc1Cl
Class:Ion Pump
Action:Inhibitor
Selectivity:Na+,K+,Cl- cotransport

Found: 24 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7962±0.0795512
Normalized OD Score: sc h 0.9774±0.0242033
Z-Score: -0.6854±0.709585
p-Value: 0.51494
Z-Factor: -44.4989
Fitness Defect: 0.6637
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:7|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04673125000000002±0.00247
Plate DMSO Control (-):0.7753±0.04573
Plate Z-Factor:0.8612
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DBLink | Rows returned: 1
6603849 4-chloro-2-(2-furylmethylamino)-5-sulfinamoyloxy-benzoic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 7895 | Additional Members: 8 | Rows returned: 0

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