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Compound InformationSONAR Target prediction
Name:

Demeclocycline Hydrochloride

Unique Identifier:LAT003H09
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21Cl2H22N2O8
Molecular Weight:481.155 g/mol
X log p:3.68  (online calculus)
Lipinksi Failures0
TPSA54.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:2
Canonical Smiles:Cl.CN(C)C1C2CC3C(O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O
Generic_name:7-CHLOROTETRACYCLINE
Chemical_iupac_name:7-CHLOROTETRACYCLINE
Drug_type:Experimental
Drugbank_id:EXPT01049
Drug_category:Tetracycline Repressor inhibitor
Organisms_affected:-1

Found: 5 nonactive as graph: single | with analogs 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.5945±0.00615183
Normalized OD Score: sc h 0.9462±0.00383855
Z-Score: -1.3864±0.216898
p-Value: 0.170606
Z-Factor: -0.538129
Fitness Defect: 1.7684
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:3|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00190
Plate DMSO Control (-):0.63455±0.01440
Plate Z-Factor:0.9167
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 6
LOPAC 00845 1.0000
Prest235 1.0000
Prest60 1.0000
SPE01500186 1.0000
SPE01500226 1.0000
SPE01500829 1.0000

nonactive | Cluster 12393 | Additional Members: 20 | Rows returned: 16<< Back 1 2 3 Next >> 
LAT001B08 0.353658536585366
SPE01500226 0.353658536585366
LOPAC 00845 0.353658536585366
LAT002E04 0.294871794871795
Prest434 0.294871794871795
SPE01500566 0.294871794871795

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