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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 461 462 463 464 465 466 467 468 469 470  Next >> [591]
Species: 4932
Condition: PRE9
Replicates: 2
Raw OD Value: r im 0.6171±0.0106066
Normalized OD Score: sc h 0.9847±0.010399
Z-Score: -0.5785±0.387946
p-Value: 0.577402
Z-Factor: -131.287
Fitness Defect: 0.5492
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-10-04 YYYY-MM-DD
Plate CH Control (+):0.0398±0.00052
Plate DMSO Control (-):0.6305499999999999±0.02941
Plate Z-Factor:0.8432
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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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