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Compound InformationSONAR Target prediction
Name:

Demeclocycline hydrochloride

Unique Identifier:Prest235
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: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 12709.0000±0
Normalized OD Score: sc h 0.9295±0
Z-Score: -1.9609±0
p-Value: 0.0498904
Z-Factor: -4.25322
Fitness Defect: 2.9979
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:10|D4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):22161±7450.25778
Plate DMSO Control (-):13194±7524.46004
Plate Z-Factor:-6.8985
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

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

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