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Compound InformationSONAR Target prediction
Name:

VERATRIDINE

Unique Identifier:SPE01503662
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:654.427 g/mol
X log p:2.384  (online calculus)
Lipinksi Failures1
TPSA66.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:13
Rotatable Bond Count:6
Canonical Smiles:COc1cc(cc(OC)c1OC)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6
(C)O)C5(O)CC42OC13O
Class:alkaloid
Source:Veraturm alba
Therapeutics:antihypertensive

Found: 192 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [192]
Species: 4932
Condition: CIN8
Replicates: 2
Raw OD Value: r im 0.7866±0.0194454
Normalized OD Score: sc h 1.0064±0.00504926
Z-Score: -0.3880±0.269782
p-Value: 0.703176
Z-Factor: -12.4244
Fitness Defect: 0.3521
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2006-02-24 YYYY-MM-DD
Plate CH Control (+):0.0416±0.00301
Plate DMSO Control (-):0.7727499999999999±0.02426
Plate Z-Factor:0.9668
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DBLink | Rows returned: 3
4018057
6708692
6857774

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 14579 | Additional Members: 6 | Rows returned: 3
SPE01503815 0
SPE00310300 0
LAT001C07 0

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