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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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.9338±0.00919239
Normalized OD Score: sc h 0.9471±0.0302148
Z-Score: -0.2510±0.667942
p-Value: 0.647172
Z-Factor: -1.94288
Fitness Defect: 0.4351
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:7|D8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.004475±0.00415
Plate DMSO Control (-):1.004575±0.01731
Plate Z-Factor:0.9409
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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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