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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: 203 nonactive | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [203]
Species: 4932
Condition: DOC1
Replicates: 2
Raw OD Value: r im 0.5198±0.0241831
Normalized OD Score: sc h 0.9604±0.00762419
Z-Score: -1.3894±0.213507
p-Value: 0.169508
Z-Factor: -1.49749
Fitness Defect: 1.7749
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-05-09 YYYY-MM-DD
Plate CH Control (+):0.04065±0.00055
Plate DMSO Control (-):0.53425±0.01400
Plate Z-Factor:0.8982
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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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