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Compound InformationSONAR Target prediction
Name:

Meclocycline Sulfosalicylate

Unique Identifier:LAT002C08
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C29ClH27N2O14S
Molecular Weight:667.834 g/mol
X log p:3.869  (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: 5 nonactive as graph: single | with analogs 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6092±0.0174655
Normalized OD Score: sc h 0.9641±0.0252702
Z-Score: -0.9011±0.784617
p-Value: 0.437248
Z-Factor: -3.50105
Fitness Defect: 0.8273
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:2|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00248
Plate DMSO Control (-):0.647475±0.01609
Plate Z-Factor:0.8987
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
Prest588 1.0000
SPE01501118 1.0000

nonactive | Cluster 2358 | Additional Members: 14 | Rows returned: 111 2 Next >> 
SPE01501118 0.465909090909091
LAT002E08 0.406976744186046
SPE01501104 0.406976744186046
Prest1251 0.406976744186046
Prest630 0.353658536585366
SPE01500457 0.353658536585366

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