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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 121 122 123 124 125 126 127 128 129 130  Next >> [590]
Species: 4932
Condition: SPE00211224
Replicates: 2
Raw OD Value: r im 0.6032±0.017607
Normalized OD Score: sc h 1.0140±0.00169432
Z-Score: 0.5133±0.0478979
p-Value: 0.607942
Z-Factor: -43.6595
Fitness Defect: 0.4977
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.60 Celcius
Date:2006-12-20 YYYY-MM-DD
Plate CH Control (+):0.041999999999999996±0.00247
Plate DMSO Control (-):0.609975±0.03775
Plate Z-Factor:0.7494
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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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