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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: 591 nonactive | as graph: single | with analogs [1] << Back 201 202 203 204 205 206 207 208 209 210  Next >> [591]
Species: 4932
Condition: SPE01500736
Replicates: 2
Raw OD Value: r im 0.6746±0.0347897
Normalized OD Score: sc h 1.0250±0.0334116
Z-Score: 1.0553±1.3732
p-Value: 0.487798
Z-Factor: -62.8853
Fitness Defect: 0.7179
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2007-01-04 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00257
Plate DMSO Control (-):0.662825±0.03347
Plate Z-Factor:0.8144
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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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