Compound Information | SONAR Target prediction | Name: | Bacampicillin hydrochloride | Unique Identifier: | Prest776 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C21ClH28N3O7S | Molecular Weight: | 475.775 g/mol | X log p: | 9.319 (online calculus) | Lipinksi Failures | 2 | TPSA | 124.51 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 10 | Rotatable Bond Count: | 11 | Canonical Smiles: | Cl.CCOC(=O)OC(C)OC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)c1ccccc1)C2=O |
Species: |
9606 |
Condition: |
TMPPre001 |
Replicates: |
2 |
Raw OD Value: r im |
2139.0000±0 |
Normalized OD Score: sc h |
1.0306±0 |
Z-Score: |
0.6900±0 |
p-Value: |
0.490172 |
Z-Factor: |
-6.18056 |
Fitness Defect: |
0.713 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 6|B7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 24.00 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 1009.5±953.84240 | Plate DMSO Control (-): | 2021±558.06298 | Plate Z-Factor: | -4.4864 |
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2282 |
1-ethoxycarbonyloxyethyl 6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
39849 |
1-ethoxycarbonyloxyethyl (2S,5R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-c arboxylate |
71429 |
1-ethoxycarbonyloxyethyl (2S,5R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-c arboxylate hydrochloride |
441397 |
1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane- 2-carboxylate |
441398 |
1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane- 2-carboxylate hydrochloride |
5311013 |
1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-[[(2S)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane- 2-carboxylate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 15024 | Additional Members: 10 | Rows returned: 3 | |
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