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Compound InformationSONAR Target prediction
Name:

LAPACHOL

Unique Identifier:SPE01501204
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:228.159 g/mol
X log p:10.414  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC(C)=CCc1c(O)c(=O)c2ccccc2c1=O
Class:quinone
Source:heartwood of Bignoniaceae
Reference:Phytochemistry 14: 1829 (1975)
Therapeutics:antineoplastic, antifungal

Found: 148 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [148]
Species: 4932
Condition: ASF1
Replicates: 2
Raw OD Value: r im 0.5226±0.0267286
Normalized OD Score: sc h 0.8607±0.0583037
Z-Score: -5.8785±2.49677
p-Value: 0.0000195286
Z-Factor: -1.53776
Fitness Defect: 10.8436
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.20 Celcius
Date:2008-01-30 YYYY-MM-DD
Plate CH Control (+):0.043425000000000005±0.00182
Plate DMSO Control (-):0.583225±0.02946
Plate Z-Factor:0.8463
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DBLink | Rows returned: 1
3884 4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16242 | Additional Members: 2 | Rows returned: 0
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