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Compound InformationSONAR Target prediction
Name:

HEMATEIN

Unique Identifier:SPE01502253
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:288.168 g/mol
X log p:8.273  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:0
Canonical Smiles:Oc1ccc2c(OCC3(O)Cc4cc(=O)c(O)cc4=C23)c1O
Class:benzopyran
Source:logwood, Haematoxylon spp.
Reference:J Chem Soc 93: 115 (1908)

Found: 32 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [32]
Species: 4932
Condition: SPE01500820
Replicates: 2
Raw OD Value: r im 0.2616±0
Normalized OD Score: sc h 0.4031±0
Z-Score: -5.4202±0
p-Value: 0.0000000595168
Z-Factor: 0.879284
Fitness Defect: 16.637
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|E7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00082
Plate DMSO Control (-):0.69025±0.01658
Plate Z-Factor:0.9196
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DBLink | Rows returned: 1
10138

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 968 | Additional Members: 2 | Rows returned: 1
SPE00200463 0.458333333333333

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