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Compound InformationSONAR Target prediction
Name:

METHICILLIN SODIUM

Unique Identifier:SPE01500395
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:383.248 g/mol
X log p:5.686  (online calculus)
Lipinksi Failures1
TPSA121.27
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:6
Canonical Smiles:[Na+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)c1c(OC)cccc1OC)C2=O
Source:semisynthetic
Therapeutics:antibacterial

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: RAD50
Replicates: 2
Raw OD Value: r im 0.6192±0.0798324
Normalized OD Score: sc h 0.9210±0.110742
Z-Score: -3.1714±4.44758
p-Value: 0.489426
Z-Factor: -4.9413
Fitness Defect: 0.7145
Bioactivity Statement: Outlier
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-09-07 YYYY-MM-DD
Plate CH Control (+):0.0421±0.00238
Plate DMSO Control (-):0.64665±0.02301
Plate Z-Factor:0.8797
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DBLink | Rows returned: 14<< Back 1 2 3
6917651 sodium
(5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxyla
te hydrate
6917652 (5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxyli
c acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 3276 | Additional Members: 16 | Rows returned: 1
SPE01500448 0.459459459459459

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