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Compound InformationSONAR Target prediction
Name:

Demeclocycline hydrochloride

Unique Identifier:LOPAC 00845
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
Class:Antibiotic
Selectivity:Protein synthesis
Generic_name:7-CHLOROTETRACYCLINE
Chemical_iupac_name:7-CHLOROTETRACYCLINE
Drug_type:Experimental
Drugbank_id:EXPT01049
Drug_category:Tetracycline Repressor inhibitor
Organisms_affected:-1

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: HOC1
Replicates: 2
Raw OD Value: r im 0.5661±0.00586899
Normalized OD Score: sc h 0.9986±0.0190947
Z-Score: -0.0246±0.874328
p-Value: 0.536538
Z-Factor: -8.87704
Fitness Defect: 0.6226
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2005-11-24 YYYY-MM-DD
Plate CH Control (+):0.039224999999999996±0.00138
Plate DMSO Control (-):0.5640000000000001±0.01473
Plate Z-Factor:0.8780
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 5
SPE01500457 0.9146
SPE01500566 0.9298
SPE01500186 1.0000
SPE01500226 1.0000
SPE01500829 1.0000

nonactive | Cluster 12393 | Additional Members: 20 | Rows returned: 161 2 3 Next >> 
LOPAC 00607 0.554347826086957
LAT004C03 0.554347826086957
SPE01505684 0.452631578947368
SPE01500414 0.448275862068966
Prest626 0.448275862068966
Prest235 0.353658536585366

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