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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 91 92 93 94 95 96 97 98 99 100  Next >> [114]
Species: 4932
Condition: TFP1
Replicates: 2
Raw OD Value: r im 0.6958±0.00968736
Normalized OD Score: sc h 0.9664±0.0196245
Z-Score: -1.3988±0.800984
p-Value: 0.227294
Z-Factor: -18.182
Fitness Defect: 1.4815
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-08-31 YYYY-MM-DD
Plate CH Control (+):0.04095±0.00127
Plate DMSO Control (-):0.694075±0.06928
Plate Z-Factor:0.6395
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DBLink | Rows returned: 71 2 Next >> 
5658
6120
5351533
5354039
5380394
6473768

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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