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Compound InformationSONAR Target prediction
Name:

Epitiostanol

Unique Identifier:Prest1215
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H30OS
Molecular Weight:280.3 g/mol
X log p:0.776  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O

Found: 1 nonactive | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 11911.0000±0
Normalized OD Score: sc h 1.0019±0
Z-Score: 0.0533±0
p-Value: 0.957488
Z-Factor: -6.18179
Fitness Defect: 0.0434
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:13|E7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.50 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):22091.5±7532.35178
Plate DMSO Control (-):12139.5±7461.51552
Plate Z-Factor:-5.4357
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DBLink | Rows returned: 4
3243
443935
6604309
6713995

internal high similarity DBLink | Rows returned: 0

active | Cluster 12674 | Additional Members: 6 | Rows returned: 4
NRB 03720 0.416666666666667
SPE00107093 0
LOPAC 00683 0
SPE00107100 0

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