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Compound InformationSONAR Target prediction
Name:

Demeclocycline Hydrochloride

Unique Identifier:LAT001B08
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 << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.6718±0.0115258
Normalized OD Score: sc h 0.9829±0.0208303
Z-Score: -0.6255±1.03358
p-Value: 0.54554
Z-Factor: -9.63868
Fitness Defect: 0.606
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.039875±0.00191
Plate DMSO Control (-):0.69555±0.23190
Plate Z-Factor:-0.0688
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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

active | Cluster 12393 | Additional Members: 20 | Rows returned: 4
Prest1244 0.490196078431373
Prest1045 0.452631578947368
SPE01505684 0.452631578947368
Prest60 0

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