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Compound InformationSONAR Target prediction
Name:

18-AMINOABIETA-8,11,13-TRIENE SULFATE

Unique Identifier:SPE01504234
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:350.284 g/mol
X log p:6.382  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:2
Canonical Smiles:CC(C)c1ccc2c(CCC3C(C)(CN)CCCC32C)c1.OS(O)(=O)=O
Class:diterpene
Source:derivative of abietic acid

Found: 109 active | as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 Next >> [109]
Species: 4932
Condition: UBP8
Replicates: 2
Raw OD Value: r im 0.1113±0.0244659
Normalized OD Score: sc h 0.1772±0.0385087
Z-Score: -33.9078±1.57048
p-Value: 0
Z-Factor: -0.573483
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2007-10-17 YYYY-MM-DD
Plate CH Control (+):0.04035±0.00040
Plate DMSO Control (-):0.6196250000000001±0.20007
Plate Z-Factor:-0.2228
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DBLink | Rows returned: 1
410304 (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine; sulfuric acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 7722 | Additional Members: 4 | Rows returned: 1
SPE00307050 0.432432432432432

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