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Compound InformationSONAR Target prediction
Name:

DOXYCYCLINE HYDROCHLORIDE

Unique Identifier:SPE01500266
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:455.697 g/mol
X log p:5.303  (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
Source:semisynthetic; GS-3065
Therapeutics:antibacterial

Found: 4 active | as graph: single | with analogs 1 2 3 4 Next >> 
Species: 4932
Condition: BY4741-3rd
Replicates: 2
Raw OD Value: r im 0.9200±0.0122329
Normalized OD Score: sc h 0.8912±0.0338996
Z-Score: -4.3415±1.13739
p-Value: 0.000202288
Z-Factor: -45.8573
Fitness Defect: 8.5058
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:2|G7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.08750000000000001±0.00289
Plate DMSO Control (-):0.9724999999999999±0.01696
Plate Z-Factor:0.9504
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 4
SPE01501104 0.9129
SPE01500566 0.9432
SPE01500457 0.9607
LOPAC 00868 1.0000

active | Cluster 2358 | Additional Members: 14 | Rows returned: 4
Prest588 0.465909090909091
SPE01501118 0.465909090909091
Prest1251 0.406976744186046
Prest1072 0

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