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Compound InformationSONAR Target prediction
Name:

Ceftriaxone sodium

Unique Identifier:LOPAC 00780
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H16N8Na2O7S3
Molecular Weight:582.42 g/mol
X log p:1.328  (online calculus)
Lipinksi Failures1
TPSA255.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:13
Rotatable Bond Count:9
Canonical Smiles:[Na+].[Na+].[O-]C(=O)C1N2C(SCC=1CSC1=NC(=O)C([O-])=NN1C)C(NC(=O)C(=NOC
)c1csc(N)n1)C2=O
Class:Antibiotic
Selectivity:Cell wall synthesis

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.5396±0.10837
Normalized OD Score: sc h 0.9873±0.158465
Z-Score: -0.0374±2.79758
p-Value: 0.319714
Z-Factor: -17.7129
Fitness Defect: 1.1403
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.50 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.0456±0.00310
Plate DMSO Control (-):0.6872750000000001±0.18870
Plate Z-Factor:-0.0980
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DBLink | Rows returned: 5
2656 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3
-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
656515 tetrasodium
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-t
riazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate heptahydrate
5362369 disodium
(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,
2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
5702221 disodium
(6R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4
-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
6604081 disodium
(6S,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,
2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 437 | Additional Members: 14 | Rows returned: 131 2 3 Next >> 
SPE01505360 0.431372549019608
SPE01505208 0.411764705882353
Prest1094 0.4
SPE01504175 0.393617021276596
Prest1090 0.367816091954023
SPE01505637 0.354838709677419

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