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Compound InformationSONAR Target prediction
Name:

ERGONOVINE MALEATE

Unique Identifier:SPE01500277
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:415.271 g/mol
X log p:9.483  (online calculus)
Lipinksi Failures1
TPSA20.31
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:CC(CO)NC(=O)C1CN(C)C2Cc3cnc4cccc(C2=C1)c34.OC(=O)C=CC(O)=O
Class:alkaloid
Source:ergot and Convolvulvaceae spp
Therapeutics:oxytocic, 5HT antagonist

Found: 205 nonactive as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [205]
Species: 4932
Condition: SAM2
Replicates: 2
Raw OD Value: r im 0.6695±0.0195869
Normalized OD Score: sc h 0.9961±0.000276347
Z-Score: -0.1986±0.0106649
p-Value: 0.84257
Z-Factor: -13.8068
Fitness Defect: 0.1713
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2007-09-21 YYYY-MM-DD
Plate CH Control (+):0.0401±0.00049
Plate DMSO Control (-):0.665875±0.11999
Plate Z-Factor:0.3941
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
LOPAC 01038 0.9835
SPE01500404 0.9835

active | Cluster 4543 | Additional Members: 12 | Rows returned: 1
Prest308 0.343283582089552

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