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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: ARL3
Replicates: 2
Raw OD Value: r im 0.6513±0.00770746
Normalized OD Score: sc h 1.0082±0.00210968
Z-Score: 0.3883±0.108686
p-Value: 0.698646
Z-Factor: -15.666
Fitness Defect: 0.3586
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-06-11 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00051
Plate DMSO Control (-):0.65265±0.01901
Plate Z-Factor:0.9047
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DBLink | Rows returned: 0

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

nonactive | Cluster 4543 | Additional Members: 12 | Rows returned: 91 2 Next >> 
LOPAC 00550 0.38961038961039
LOPAC 00289 0.368421052631579
Prest525 0.368421052631579
LOPAC 01021 0.368421052631579
LAT004G02 0.368421052631579
Prest308 0.343283582089552

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