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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 21 22 23 24 25 26 27 28 29 30  Next >> [32]
Species: 4932
Condition: BY4741
Replicates: 2
Raw OD Value: r im 0.7785±0.0455377
Normalized OD Score: sc h 0.8141±0.0475825
Z-Score: -7.5184±1.46078
p-Value: 0.0000000000442356
Z-Factor: 0.0202804
Fitness Defect: 23.8415
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:19|C3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0905±0.00403
Plate DMSO Control (-):0.9544999999999999±0.03405
Plate Z-Factor:0.9038
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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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