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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] << Back 31 32 Next >> [32]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.7057±0.0306884
Normalized OD Score: sc h 0.8259±0.0463889
Z-Score: -5.1757±0.967906
p-Value: 0.00000354162
Z-Factor: -0.184596
Fitness Defect: 12.5509
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.041275000000000006±0.00085
Plate DMSO Control (-):0.6967749999999999±0.01090
Plate Z-Factor:0.9517
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DBLink | Rows returned: 1
10138

internal high similarity DBLink | Rows returned: 0

active | Cluster 968 | Additional Members: 2 | Rows returned: 0
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