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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 191 192 193 194 195 196 197 198 199 200  Next >> [204]
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6920±0.00509117
Normalized OD Score: sc h 1.0359±0.00200902
Z-Score: 1.4946±0.0614499
p-Value: 0.135394
Z-Factor: -0.701639
Fitness Defect: 1.9996
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.042300000000000004±0.00093
Plate DMSO Control (-):0.6771750000000001±0.01486
Plate Z-Factor:0.9273
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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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