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Compound InformationSONAR Target prediction
Name:

ERYTHROMYCIN STEARATE

Unique Identifier:SPE01500281
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C57H107NO15
Molecular Weight:938.608 g/mol
X log p:-2.678  (online calculus)
Lipinksi Failures1
TPSA92.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:14
Rotatable Bond Count:7
Canonical Smiles:CCCCCCCCCCCCCCCCCCCC(O)=O.CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C
(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
Source:ex Streptomyces erythreus
Therapeutics:antibacterial

Found: 101 nonactive as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [101]
Species: 4932
Condition: KAP123
Replicates: 2
Raw OD Value: r im 0.5584±0.00707107
Normalized OD Score: sc h 0.9890±0.00527426
Z-Score: -0.4491±0.245203
p-Value: 0.658168
Z-Factor: -8.85367
Fitness Defect: 0.4183
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2007-11-09 YYYY-MM-DD
Plate CH Control (+):0.040624999999999994±0.00125
Plate DMSO Control (-):0.54905±0.01283
Plate Z-Factor:0.9209
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DBLink | Rows returned: 36<< Back 1 2 3 4 5 6 Next >> 
489009 (3R,4S,5S,6R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-et
hyl-7,12,13-trihydroxy-4-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexame
thyl-1-oxacyclotetradecane-2,10-dione
4713001 [2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamet
hyl-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-3-hydroxy-6-methyl-oxan-4-yl]-dimethyl-azanium
5120463 4-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl
-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
5120667 n/a
5260126 oxidanium; acetic acid;
6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4
,6-dimethyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione; ethane-1,1-diol;
zinc
5284394 [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hy
droxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-6-yl]o
xy]-3-hydroxy-6-methyl-oxan-4-yl]-dimethyl-azanium; octadecanoate

internal high similarity DBLink | Rows returned: 1
SPE01504231 0.9604

active | Cluster 14145 | Additional Members: 11 | Rows returned: 1
SPE01501176 0.195652173913043

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