| Compound Information | SONAR Target prediction | | Name: | METAMPICILLIN SODIUM | | Unique Identifier: | SPE01502034 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 365.255 g/mol | | X log p: | 9.03 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 115.17 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 7 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | [Na+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)C(N=C)c1ccccc1)C2=O | | Source: | semisynthetic | | Therapeutics: | antibacterial |
| Species: |
4932 |
| Condition: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7167±0.00374767 |
| Normalized OD Score: sc h |
1.0217±0.00802049 |
| Z-Score: |
1.1456±0.401014 |
| p-Value: |
0.270802 |
| Z-Factor: |
-1.45301 |
| Fitness Defect: |
1.3064 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.03995±0.00076 | | Plate DMSO Control (-): | 0.7010000000000001±0.00792 | | Plate Z-Factor: | 0.9638 |
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| DBLink | Rows returned: 6 | |
| 4083 |
3,3-dimethyl-6-[[2-(methylideneamino)-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-c
arboxylate |
| 4084 |
3,3-dimethyl-6-[[2-(methylideneamino)-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-c
arboxylic acid |
| 5702187 |
sodium
3,3-dimethyl-6-[[2-(methylideneamino)-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-c
arboxylate |
| 6604508 |
sodium
(2S,5R,6R)-3,3-dimethyl-6-[[(2S)-2-(methylideneamino)-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3
.2.0]heptane-2-carboxylate |
| 6604509 |
(2S,5R,6R)-3,3-dimethyl-6-[[(2S)-2-(methylideneamino)-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3
.2.0]heptane-2-carboxylic acid |
| 6713928 |
(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-(methylideneamino)-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3
.2.0]heptane-2-carboxylic acid |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 3276 | Additional Members: 16 | Rows returned: 1 | |
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