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Compound InformationSONAR Target prediction
Name:

R(+)-Lisuride hydrogen maleate

Unique Identifier:LOPAC 00289
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H30N4O5
Molecular Weight:426.297 g/mol
X log p:9.775  (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.OC(=O)C=CC(O)=O
Class:Dopamine
Action:Agonist
Selectivity:DRD2

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.6776±0.000707107
Normalized OD Score: sc h 1.0206±0.0239596
Z-Score: 0.5372±0.611641
p-Value: 0.624392
Z-Factor: -4.25134
Fitness Defect: 0.471
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-11-15 YYYY-MM-DD
Plate CH Control (+):0.038925±0.02430
Plate DMSO Control (-):0.667825±0.02097
Plate Z-Factor:0.6217
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
LOPAC 01021 0.9531

nonactive | Cluster 4543 | Additional Members: 12 | Rows returned: 91 2 Next >> 
LOPAC 00550 0.38961038961039
Prest525 0.368421052631579
LOPAC 01021 0.368421052631579
LAT004G02 0.368421052631579
Prest308 0.343283582089552
SPE01500277 0.166666666666667

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