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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 101 102 103 104 105 106 107 108 109 110  Next >> [192]
Species: 4932
Condition: ASF1
Replicates: 2
Raw OD Value: r im 0.5941±0.00282843
Normalized OD Score: sc h 1.0030±0.00402771
Z-Score: 0.1228±0.171818
p-Value: 0.903002
Z-Factor: -14.066
Fitness Defect: 0.102
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2008-01-30 YYYY-MM-DD
Plate CH Control (+):0.043524999999999994±0.00091
Plate DMSO Control (-):0.57065±0.02397
Plate Z-Factor:0.8575
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DBLink | Rows returned: 3
4018057
6708692
6857774

internal high similarity DBLink | Rows returned: 0

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

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