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Compound InformationSONAR Target prediction
Name:

Methacycline Hydrochloride

Unique Identifier:LAT002E08
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22ClH23N2O8
Molecular Weight:455.697 g/mol
X log p:5.229  (online calculus)
Lipinksi Failures1
TPSA54.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:2
Canonical Smiles:Cl.CN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.7659±0.000212132
Normalized OD Score: sc h 0.9727±0.00778131
Z-Score: -0.7360±0.375208
p-Value: 0.47726
Z-Factor: -3.2638
Fitness Defect: 0.7397
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:2|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00180
Plate DMSO Control (-):0.8076749999999999±0.01978
Plate Z-Factor:0.9010
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
Prest1251 1.0000
SPE01501104 1.0000

nonactive | Cluster 2358 | Additional Members: 14 | Rows returned: 111 2 Next >> 
LAT002C08 0.465909090909091
SPE01501118 0.465909090909091
SPE01501104 0.406976744186046
Prest1251 0.406976744186046
Prest630 0.353658536585366
SPE01500457 0.353658536585366

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