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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 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7778±0.0818089
Normalized OD Score: sc h 0.9844±0.0279675
Z-Score: -0.4448±1.01573
p-Value: 0.366822
Z-Factor: -233.69
Fitness Defect: 1.0029
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.046787499999999996±0.00101
Plate DMSO Control (-):0.7538062500000003±0.03766
Plate Z-Factor:0.8896
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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

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

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