Compound Information | SONAR 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 Failures | 1 | TPSA | 121.27 | 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 |
Species: |
4932 |
Condition: |
AAT2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7264±0.00707107 |
Normalized OD Score: sc h |
0.9954±0.00644626 |
Z-Score: |
-0.2386±0.336822 |
p-Value: |
0.816626 |
Z-Factor: |
-27.4631 |
Fitness Defect: |
0.2026 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 2|E3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.40 Celcius | Date: | 2008-04-08 YYYY-MM-DD | Plate CH Control (+): | 0.03995±0.00055 | Plate DMSO Control (-): | 0.713525±0.01410 | Plate Z-Factor: | 0.9355 |
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4102 |
6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
4103 |
6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
6087 |
(2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbox ylic acid |
23675 |
sodium 6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
64687 |
sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbox ylate |
441237 |
sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbox ylate hydrate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 3276 | Additional Members: 16 | Rows returned: 1 | |
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