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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: pdr22h
Replicates: 2
Raw OD Value: r im 0.6851±0.00169706
Normalized OD Score: sc h 0.9946±0.0120327
Z-Score: -0.1459±0.634185
p-Value: 0.657264
Z-Factor: -7.44723
Fitness Defect: 0.4197
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:2|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040625±0.00276
Plate DMSO Control (-):0.6738±0.00616
Plate Z-Factor:0.9618
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DBLink | Rows returned: 0

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

active | Cluster 2358 | Additional Members: 14 | Rows returned: 5
Prest588 0.465909090909091
SPE01501118 0.465909090909091
Prest1251 0.406976744186046
Prest1072 0
SPE01500266 0

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