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Compound InformationSONAR Target prediction
Name:

Metampicillin sodium salt

Unique Identifier:Prest828
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H18N3NaO4S
Molecular Weight:367.271 g/mol
X log p:8.577  (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

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2150.0000±0
Normalized OD Score: sc h 1.0498±0
Z-Score: 1.1219±0
p-Value: 0.261912
Z-Factor: -4.83748
Fitness Defect: 1.3397
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:3|H6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.60 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1037.5±978.23463
Plate DMSO Control (-):2014±552.18250
Plate Z-Factor:-4.9321
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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: 0

active | Cluster 3276 | Additional Members: 16 | Rows returned: 1
SPE01500448 0.459459459459459

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