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Compound InformationSONAR Target prediction
Name:

VERATRINE SULFATE

Unique Identifier:SPE00310300
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:639.415 g/mol
X log p:-0.855000000000001  (online calculus)
Lipinksi Failures0
TPSA38.77
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:3
Canonical Smiles:CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)C
C42OC13O.OS(O)(=O)=O
Source:Schoenocaulon officinale; shown as cevadine
Therapeutics:antihypertensive

Found: 590 nonactive | as graph: single | with analogs [1] << Back 151 152 153 154 155 156 157 158 159 160  Next >> [590]
Species: 4932
Condition: SPE00310300
Replicates: 2
Raw OD Value: r im 0.4346±0.208879
Normalized OD Score: sc h 0.7645±0.327087
Z-Score: -6.7507±9.27314
p-Value: 0.42325
Z-Factor: -6.33542
Fitness Defect: 0.8598
Bioactivity Statement: Outlier
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2006-12-21 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00313
Plate DMSO Control (-):0.598075±0.08950
Plate Z-Factor:0.0916
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DBLink | Rows returned: 2
5351532
5702002

internal high similarity DBLink | Rows returned: 1
SPE01503815 0.9533

active | Cluster 14579 | Additional Members: 6 | Rows returned: 0
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