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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 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6912±0.00685894
Normalized OD Score: sc h 0.9967±0.00639079
Z-Score: -0.1752±0.344546
p-Value: 0.810392
Z-Factor: -307.19
Fitness Defect: 0.2102
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04189999999999999±0.00111
Plate DMSO Control (-):0.6796749999999999±0.01698
Plate Z-Factor:0.9102
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DBLink | Rows returned: 36<< Back 1 2 3 4 5 6 Next >> 
83991 (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14
-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-
hexamethyl-1-oxacyclotetradecane-2,10-dione dihydrate
84021 (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14
-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-
hexamethyl-1-oxacyclotetradecane-2,10-dione; hexadecanoic acid
86475 (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14
-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-
hexamethyl-1-oxacyclotetradecane-2,10-dione hydrochloride
86487 carbonic acid;
(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14
-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-
hexamethyl-1-oxacyclotetradecane-2,10-dione
88122 (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14
-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-
hexamethyl-1-oxacyclotetradecane-2,10-dione hydrate
102534 14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-6-(3-hydroxy-6-methyl-4-me
thylamino-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

internal high similarity DBLink | Rows returned: 1
SPE01504231 0.9604

nonactive | Cluster 14145 | Additional Members: 11 | Rows returned: 102 Next >> 
SPE01504144 0.320754716981132
Prest923 0.320754716981132
SPE01503276 0.264705882352941
Prest1046 0.264705882352941
SPE01500279 0.221052631578947
SPE01503679 0.206521739130435

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