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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 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: CIN8
Replicates: 2
Raw OD Value: r im 0.7742±0.00190919
Normalized OD Score: sc h 0.9797±0.00146521
Z-Score: -1.3266±0.0609985
p-Value: 0.185049
Z-Factor: -1.03892
Fitness Defect: 1.6871
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:14|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2006-02-24 YYYY-MM-DD
Plate CH Control (+):0.038875±0.00193
Plate DMSO Control (-):0.775025±0.01094
Plate Z-Factor:0.9431
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DBLink | Rows returned: 9<< Back 1 2
5702218 1-ethoxycarbonyloxyethyl
6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxyla
te hydrochloride
5702219 1-ethoxycarbonyloxyethyl
6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxyla
te
6604397 [(1S)-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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