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Compound InformationSONAR Target prediction
Name:

Doxycycline hydrochloride

Unique Identifier:LOPAC 00868
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22ClH25N2O8
Molecular Weight:457.713 g/mol
X log p:5.087  (online calculus)
Lipinksi Failures1
TPSA54.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:2
Canonical Smiles:Cl.CC1C2C(O)C3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)c2c(O)cccc12
Class:Antibiotic
Selectivity:Protein synthesis

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: NOP16
Replicates: 2
Raw OD Value: r im 0.7101±0.00912168
Normalized OD Score: sc h 0.9894±0.0020921
Z-Score: -0.5025±0.156163
p-Value: 0.617488
Z-Factor: -133.807
Fitness Defect: 0.4821
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-22 YYYY-MM-DD
Plate CH Control (+):0.044525±0.00099
Plate DMSO Control (-):0.69415±0.03053
Plate Z-Factor:0.8603
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 4
SPE01501104 0.9129
SPE01500566 0.9432
SPE01500457 0.9607
SPE01500266 1.0000

nonactive | Cluster 2358 | Additional Members: 14 | Rows returned: 111 2 Next >> 
LAT002C08 0.465909090909091
SPE01501118 0.465909090909091
LAT002E08 0.406976744186046
SPE01501104 0.406976744186046
Prest1251 0.406976744186046
Prest630 0.353658536585366

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