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Compound InformationSONAR Target prediction
Name:

Psoromic Acid

Unique Identifier:LAT001C06
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

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.8260±0.00841457
Normalized OD Score: sc h 1.0169±0.0114226
Z-Score: 1.0019±0.46668
p-Value: 0.342278
Z-Factor: -3.42421
Fitness Defect: 1.0721
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00150
Plate DMSO Control (-):0.79905±0.01174
Plate Z-Factor:0.9475
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DBLink | Rows returned: 1
3344819

internal high similarity DBLink | Rows returned: 1
SPE01504106 1.0000

active | Cluster 8237 | Additional Members: 3 | Rows returned: 2
SPE00200040 0.328125
SPE01504106 0

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