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Compound InformationSONAR Target prediction
Name:

Gentamicine sulfate

Unique Identifier:Prest240
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C60H125N15O25S
Molecular Weight:1364.81 g/mol
X log p:-3.544  (online calculus)
Lipinksi Failures1
TPSA36.92
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:12
Rotatable Bond Count:7
Canonical Smiles:CNC(C)C1CCC(N)C(O1)OC1C(N)CC(N)C(OC2OCC(C)(O)C(NC)C2O)C1O.CNC1C(O)C(OC
C1(C)O)OC1C(N)CC(N)C(OC2OC(CN)CCC2N)C1O.CNC1C(O)C(OCC1(C)O)OC1C(N)CC(N
)C(OC2OC(CCC2N)C(C)N)C1O.OS(O)(=O)=O

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2071.0000±0
Normalized OD Score: sc h 1.0129±0
Z-Score: 0.2898±0
p-Value: 0.771934
Z-Factor: -6.67532
Fitness Defect: 0.2589
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:2|H11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.40 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):979±955.64442
Plate DMSO Control (-):1983.5±536.09994
Plate Z-Factor:-4.7841
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DBLink | Rows returned: 3
5702059 (3R,4R,5R)-2-[(1S,2S,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(1-methylaminoethyl)oxan-2-yl]oxy-2-hydr
oxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol; sulfuric acid
6419933 (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-aminoethyl]oxan-2-yl]oxy-2
-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol;
(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydro
xy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol;
(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-methylaminoethyl]oxan-2-yl
]oxy-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol; sulfuric acid
6604484 (2R,3S,4S,5S)-2-[(1S,2R,3S,4S,6R)-4,6-diamino-3-[(2R,3R,6R)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2
-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol;
(2R,3S,4S,5S)-2-[(1S,2R,3S,4S,6R)-4,6-diamino-3-[(2R,3R,6R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydro
xy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol;
(2R,3S,4S,5S)-2-[(1S,2R,3S,4S,6R)-4,6-diamino-3-[(2R,3R,6R)-3-amino-6-[(1S)-1-methylaminoethyl]oxan-2-yl
]oxy-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol; sulfuric acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 1 | Additional Members: 50 | Rows returned: 45<< Back 1 2 3 4 5 6 7 8 Next >> 
SPE01505035 0
LAT007F07 0
LAT007H06 0
LAT007G06 0
LAT002C02 0
SPE01500206 0

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