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Compound InformationSONAR 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 Failures1
TPSA115.17
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

Found: 205 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: DOC1
Replicates: 2
Raw OD Value: r im 0.5243±0.010748
Normalized OD Score: sc h 1.0361±0.00520158
Z-Score: 1.2800±0.22225
p-Value: 0.20608
Z-Factor: -2.51178
Fitness Defect: 1.5795
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2008-05-09 YYYY-MM-DD
Plate CH Control (+):0.040925±0.00058
Plate DMSO Control (-):0.517875±0.02392
Plate Z-Factor:0.8404
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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
SPE01500123 0.9333

nonactive | Cluster 3276 | Additional Members: 16 | Rows returned: 151 2 3 Next >> 
SPE01500448 0.459459459459459
SPE01500467 0.450704225352113
SPE01500395 0.442857142857143
SPE01503101 0.435897435897436
Prest48 0.435897435897436
SPE01500489 0.430379746835443

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