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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: SPE01500669
Replicates: 2
Raw OD Value: r im 0.6031±0.0156978
Normalized OD Score: sc h 0.9697±0.0320393
Z-Score: -1.7960±1.9025
p-Value: 0.326934
Z-Factor: -4.23081
Fitness Defect: 1.118
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|E7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.30 Celcius
Date:2006-12-12 YYYY-MM-DD
Plate CH Control (+):0.03925±0.00160
Plate DMSO Control (-):0.642725±0.01364
Plate Z-Factor:0.9184
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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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