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Compound InformationSONAR Target prediction
Name:

HAEMATOMMIC ACID

Unique Identifier:SPE01400131
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:188.093 g/mol
X log p:3.966  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:Cc1cc(O)c(C=O)c(O)c1C(O)=O
Class:aromatic
Source:Alectoria spp, Haematomma spp and Lethariella spp
Reference:J Org Chem 42: 2526 (1977); Helv Chim Acta 72: 1061 (1989)

Found: 204 nonactive | as graph: single | with analogs [1] << Back 121 122 123 124 125 126 127 128 129 130  Next >> [204]
Species: 4932
Condition: DOC1
Replicates: 2
Raw OD Value: r im 0.5247±0.0808223
Normalized OD Score: sc h 0.9286±0.138884
Z-Score: -2.6045±5.0001
p-Value: 0.175901
Z-Factor: -6.70085
Fitness Defect: 1.7378
Bioactivity Statement: Outlier
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-05-09 YYYY-MM-DD
Plate CH Control (+):0.04125±0.00038
Plate DMSO Control (-):0.549025±0.01718
Plate Z-Factor:0.8884
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DBLink | Rows returned: 1
6710680 3-formyl-2,4-dihydroxy-6-methyl-benzoic acid

internal high similarity DBLink | Rows returned: 1
SPE00200640 0.9259

active | Cluster 3139 | Additional Members: 3 | Rows returned: 1
SPE00205071 0.446808510638298

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