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Compound InformationSONAR Target prediction
Name:

SELAMECTIN

Unique Identifier:SPE01503720
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:676.454 g/mol
X log p:8.983  (online calculus)
Lipinksi Failures1
TPSA81.68
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:4
Canonical Smiles:COC1CC(OC(C)C1O)OC1C(C)C=CC=C2COC3CC(C)=CC(C(=O)OC4CC(CC=C1C)OC1(CCC(C
)C(O1)C1CCCCC1)C4)C32O
Source:semisynthetic
Therapeutics:antiparasitic, antimite

Found: 190 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [190]
Species: 4932
Condition: CHS5
Replicates: 2
Raw OD Value: r im 0.7412±0.00890955
Normalized OD Score: sc h 0.9776±0.000621751
Z-Score: -1.0893±0.0593444
p-Value: 0.276424
Z-Factor: -1.089
Fitness Defect: 1.2858
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:15|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2006-03-28 YYYY-MM-DD
Plate CH Control (+):0.039775±0.00166
Plate DMSO Control (-):0.7373±0.01030
Plate Z-Factor:0.9554
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DBLink | Rows returned: 3
5194
5702263
6708470

internal high similarity DBLink | Rows returned: 2
LOPAC 00986 0.9671
SPE01502260 0.9671

active | Cluster 12611 | Additional Members: 6 | Rows returned: 2
SPE01502260 0.1875
LOPAC 00986 0

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