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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 161 162 163 164 165 166 167 168 169 170  Next >> [190]
Species: 4932
Condition: RSC2
Replicates: 2
Raw OD Value: r im 0.3311±0.0221324
Normalized OD Score: sc h 0.8542±0.00316905
Z-Score: -3.9492±0.150263
p-Value: 0.0000857982
Z-Factor: -0.255804
Fitness Defect: 9.3635
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-12-12 YYYY-MM-DD
Plate CH Control (+):0.043525±0.00094
Plate DMSO Control (-):0.381425±0.02135
Plate Z-Factor:0.7806
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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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