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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: 26 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [26]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7041±0.026163
Normalized OD Score: sc h 0.8308±0.0135827
Z-Score: -4.6505±0.519377
p-Value: 0.0000094684
Z-Factor: 0.384954
Fitness Defect: 11.5676
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:15|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-11-23 YYYY-MM-DD
Plate CH Control (+):0.04025±0.00294
Plate DMSO Control (-):0.70135±0.01431
Plate Z-Factor:0.9311
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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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