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Compound InformationSONAR Target prediction
Name:

CEVADINE 80%

Unique Identifier:SPE01503815
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C32H49NO9
Molecular Weight:546.375 g/mol
X log p:-0.876000000000001  (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
Source:ex Veratrum alba; contains 20% veratridine
Therapeutics:antihypertensive

Found: 114 nonactive as graph: single | with analogs [1] << Back 111 112 113 114 Next >> [114]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.9791±0.0126572
Normalized OD Score: sc h 0.9737±0.0180584
Z-Score: 0.5735±0.352531
p-Value: 0.578218
Z-Factor: -10.0894
Fitness Defect: 0.5478
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:19|D4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.001975±0.00076
Plate DMSO Control (-):1.0113750000000001±0.03790
Plate Z-Factor:0.8840
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DBLink | Rows returned: 7<< Back 1 2
6857776

internal high similarity DBLink | Rows returned: 1
SPE00310300 0.9533

active | Cluster 14579 | Additional Members: 6 | Rows returned: 1
SPE00310300 0

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