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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 21 22 23 24 25 26 Next >> [26]
Species: 4932
Condition: SWC5
Replicates: 2
Raw OD Value: r im 0.5430±0.0661145
Normalized OD Score: sc h 0.8770±0.077763
Z-Score: -5.4253±3.0506
p-Value: 0.000541264
Z-Factor: -1.5532
Fitness Defect: 7.5216
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-06-19 YYYY-MM-DD
Plate CH Control (+):0.039724999999999996±0.00057
Plate DMSO Control (-):0.605525±0.01352
Plate Z-Factor:0.9405
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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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