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Compound InformationSONAR Target prediction
Name:

BACAMPICILLIN HYDROCHLORIDE

Unique Identifier:SPE01503102
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:473.759 g/mol
X log p:9.772  (online calculus)
Lipinksi Failures2
TPSA124.51
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
Source:semisynthetic
Therapeutics:antibacterial

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: SWC5
Replicates: 2
Raw OD Value: r im 0.6496±0
Normalized OD Score: sc h 0.9874±0.0238582
Z-Score: -0.6171±1.1388
p-Value: 0.502838
Z-Factor: -10.0432
Fitness Defect: 0.6875
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:19|H10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-06-19 YYYY-MM-DD
Plate CH Control (+):0.039625±0.00061
Plate DMSO Control (-):0.6382±0.01251
Plate Z-Factor:0.9518
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DBLink | Rows returned: 91 2 Next >> 
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
Prest1097 0.426470588235294
Prest1304 0.407407407407407
Prest1280 0.323943661971831

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