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Compound InformationSONAR Target prediction
Name:

CHRYSOPHANOL

Unique Identifier:SPE00300545
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:244.158 g/mol
X log p:9.805  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:Cc1cc(O)c2c(=O)c3c(O)cccc3c(=O)c2c1
Class:anthraquinone
Source:Cassia and Rumex spp
Reference:Phytochemistry 11: 2122 (1972)

Found: 21 active | as graph: single | with analogs << Back 11 12 13 14 15 16 17 18 19 20  Next >> 
Species: 4932
Condition: SPE00210025
Replicates: 2
Raw OD Value: r im 0.1422±0.0257387
Normalized OD Score: sc h 2.0285±0.503202
Z-Score: 5.7388±3.50955
p-Value: 0.0005626
Z-Factor: -5.83545
Fitness Defect: 7.4829
Bioactivity Statement: Outlier
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-12-12 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00157
Plate DMSO Control (-):0.07600000000000001±0.29507
Plate Z-Factor:-2.4187
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DBLink | Rows returned: 1
10208 1,8-dihydroxy-3-methyl-anthracene-9,10-dione

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7565 | Additional Members: 10 | Rows returned: 6
SPE00300038 0.564102564102564
SPE01505129 0.475
LAT015F08 0.333333333333333
LAT005F04 0.290322580645161
SPE00211468 0
LAT005A05 0

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