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Compound InformationSONAR Target prediction
Name:

PSOROMIC ACID HYDRATE

Unique Identifier:SPE01504106
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H16O9
Molecular Weight:360.187 g/mol
X log p:3.932  (online calculus)
Lipinksi Failures0
TPSA61.83
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:3
Canonical Smiles:COc1cc(C(O)=O)c2Oc3c(C(O)O)c(O)cc(C)c3C(=O)Oc2c1C
Source:ex Usnea spp; dehydrates to psoromic acid at 250 C

Found: 100 nonactive | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [100]
Species: 4932
Condition: ELG1
Replicates: 2
Raw OD Value: r im 0.7003±0.00367696
Normalized OD Score: sc h 0.9944±0.00280148
Z-Score: -0.3491±0.179373
p-Value: 0.729104
Z-Factor: -17.2801
Fitness Defect: 0.3159
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-10-10 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00046
Plate DMSO Control (-):0.698425±0.04471
Plate Z-Factor:0.7751
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DBLink | Rows returned: 1
3344819

internal high similarity DBLink | Rows returned: 2
SPE00200489 0.9200
SPE00200040 0.9796

active | Cluster 8237 | Additional Members: 3 | Rows returned: 1
SPE00200040 0.328125

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