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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: 487 nonactive | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [487]
Species: 4932
Condition: SPE00305025
Replicates: 2
Raw OD Value: r im 0.3368±0.0183848
Normalized OD Score: sc h 0.7949±0.0350051
Z-Score: -3.6680±0.114117
p-Value: 0.00025596
Z-Factor: -0.88499
Fitness Defect: 8.2705
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|D6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.40 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.04±0.00234
Plate DMSO Control (-):0.44777500000000003±0.05744
Plate Z-Factor:0.5846
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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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