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Compound InformationSONAR Target prediction
Name:

MECLOCYCLINE SULFOSALICYLATE

Unique Identifier:SPE01501118
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:semisynthetic; GS-2989, NSC-78502
Therapeutics:antibacterial

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: SSB2
Replicates: 2
Raw OD Value: r im 0.6477±0.011738
Normalized OD Score: sc h 0.9238±0.00491727
Z-Score: -4.1885±0.261522
p-Value: 0.0000373114
Z-Factor: -0.0271479
Fitness Defect: 10.1962
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2008-05-29 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00196
Plate DMSO Control (-):0.686225±0.01289
Plate Z-Factor:0.9458
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2358 | Additional Members: 14 | Rows returned: 111 2 Next >> 
LAT002C08 0.465909090909091
LAT002E08 0.406976744186046
SPE01501104 0.406976744186046
Prest1251 0.406976744186046
Prest630 0.353658536585366
SPE01500457 0.353658536585366

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