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Compound InformationSONAR Target prediction
Name:

ERYTHROMYCIN ESTOLATE

Unique Identifier:SPE01501176
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:958.618 g/mol
X log p:-2.205  (online calculus)
Lipinksi Failures1
TPSA119.06
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:15
Rotatable Bond Count:10
Canonical Smiles:CCCCCCCCCCCCOS(O)(=O)=O.CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(O
C2OC(C)CC(C2OC(=O)CC)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
Source:Streptomyces erythreus
Therapeutics:antibacterial

Found: 136 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [136]
Species: 4932
Condition: SPE01502260
Replicates: 2
Raw OD Value: r im 0.0452±0
Normalized OD Score: sc h 0.1261±0
Z-Score: -14.1587±0
p-Value: 2.8026e-45
Z-Factor: 0.795549
Fitness Defect: 102.5858
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|D6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00091
Plate DMSO Control (-):0.3584±0.02117
Plate Z-Factor:0.7899
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DBLink | Rows returned: 3
19037 [4-dimethylamino-2-[[(3R,4S,6R,7R,9R,11R,12R,13R,14R)-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-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-6-methyl-ox
an-3-yl] propanoate; 1-sulfooxydodecane
429694 [4-dimethylamino-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-hexamethyl-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-6-methyl-oxan-3-yl] propanoate;
1-sulfooxydodecane
441371 [(2S,3R,4S,6R)-4-dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2
S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacycl
otetradec-6-yl]oxy]-6-methyl-oxan-3-yl] propanoate; 1-sulfooxydodecane

internal high similarity DBLink | Rows returned: 0

active | Cluster 14145 | Additional Members: 11 | Rows returned: 0
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