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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 311 312 313 314 315 316 317 318 319 320  Next >> [590]
Species: 4932
Condition: SPE01500767
Replicates: 2
Raw OD Value: r im 0.6695±0.00622254
Normalized OD Score: sc h 1.0226±0.00870079
Z-Score: 0.6355±0.21014
p-Value: 0.52964
Z-Factor: -12.8299
Fitness Defect: 0.6356
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-11-17 YYYY-MM-DD
Plate CH Control (+):0.039525000000000005±0.00181
Plate DMSO Control (-):0.69025±0.05498
Plate Z-Factor:0.7718
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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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