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Compound InformationSONAR Target prediction
Name:

Lisuride (S)(-)

Unique Identifier:Prest525
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20H26N4O
Molecular Weight:313.248 g/mol
X log p:10.053  (online calculus)
Lipinksi Failures1
TPSA23.55
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:CCN(CC)C(=O)NC1CN(C)C2Cc3cnc4cccc(C2=C1)c34

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1889.0000±0
Normalized OD Score: sc h 0.9519±0
Z-Score: -1.0836±0
p-Value: 0.278526
Z-Factor: -17.1365
Fitness Defect: 1.2782
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:2|C7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.40 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):979±955.64442
Plate DMSO Control (-):1983.5±536.09994
Plate Z-Factor:-4.7841
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 4543 | Additional Members: 12 | Rows returned: 91 2 Next >> 
LOPAC 00550 0.38961038961039
LOPAC 00289 0.368421052631579
LOPAC 01021 0.368421052631579
LAT004G02 0.368421052631579
Prest308 0.343283582089552
SPE01500277 0.166666666666667

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