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Compound InformationSONAR Target prediction
Name:

Meclocycline sulfosalicylate

Unique Identifier:Prest588
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C29ClH27N2O14S
Molecular Weight:668.842 g/mol
X log p:3.946  (online calculus)
Lipinksi Failures0
TPSA54.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:2
Canonical Smiles:CN(C)C1C2C(O)C3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O
.OC(=O)c1cc(ccc1O)S(O)(=O)=O

Found: 3 active as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1319.0000±0
Normalized OD Score: sc h 0.6426±0
Z-Score: -8.0561±0
p-Value: 7.87882e-16
Z-Factor: -2.03824
Fitness Defect: 34.7772
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:6|F7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.00 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1009.5±953.84240
Plate DMSO Control (-):2021±558.06298
Plate Z-Factor:-4.4864
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 2358 | Additional Members: 14 | Rows returned: 4
SPE01501118 0.465909090909091
Prest1251 0.406976744186046
Prest1072 0
SPE01500266 0

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