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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 51 52 53 54 55 56 57 58 59 60  Next >> [204]
Species: 4932
Condition: MET16
Replicates: 2
Raw OD Value: r im 0.6733±0.000353553
Normalized OD Score: sc h 1.0089±0.0159274
Z-Score: 0.4472±0.800144
p-Value: 0.608338
Z-Factor: -12.2999
Fitness Defect: 0.497
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2007-10-18 YYYY-MM-DD
Plate CH Control (+):0.03975±0.00064
Plate DMSO Control (-):0.6561±0.02046
Plate Z-Factor:0.8912
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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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