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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 311 312 313 314 315 316 317 318 319 320  Next >> [591]
Species: 4932
Condition: SPE00330001
Replicates: 2
Raw OD Value: r im 0.5354±0.0330219
Normalized OD Score: sc h 1.1361±0.00363638
Z-Score: 1.8178±0.261412
p-Value: 0.0738486
Z-Factor: -20.1901
Fitness Defect: 2.6057
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|E7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.60 Celcius
Date:2006-11-15 YYYY-MM-DD
Plate CH Control (+):0.041225±0.00241
Plate DMSO Control (-):0.48507500000000003±0.08560
Plate Z-Factor:0.4899
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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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