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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: 597 nonactive | as graph: single | with analogs [1] << Back 561 562 563 564 565 566 567 568 569 570  Next >> [597]
Species: 4932
Condition: SEC66
Replicates: 2
Raw OD Value: r im 0.5539±0.00947523
Normalized OD Score: sc h 0.9963±0.00517347
Z-Score: -0.1410±0.193403
p-Value: 0.888936
Z-Factor: -27.8883
Fitness Defect: 0.1177
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2007-12-07 YYYY-MM-DD
Plate CH Control (+):0.04505±0.00120
Plate DMSO Control (-):0.540775±0.01516
Plate Z-Factor:0.9155
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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

active | Cluster 7565 | Additional Members: 10 | Rows returned: 5
SPE00300038 0.564102564102564
SPE01505129 0.475
LAT015F08 0.333333333333333
SPE00211468 0
LAT005A05 0

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