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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: 493 nonactive | as graph: single | with analogs [1] << Back 491 492 493
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.6160±0.0325976
Normalized OD Score: sc h 0.9048±0.0390126
Z-Score: -3.1673±1.15383
p-Value: 0.00938526
Z-Factor: -1.2919
Fitness Defect: 4.6686
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00123
Plate DMSO Control (-):0.637975±0.02639
Plate Z-Factor:0.8656
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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

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