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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: 123 nonactive | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [123]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.8080±0
Normalized OD Score: sc h 0.9616±0
Z-Score: -2.0672±0
p-Value: 0.038716
Z-Factor: -0.916381
Fitness Defect: 3.2515
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:20|B4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.089±0.00419
Plate DMSO Control (-):0.826±0.01837
Plate Z-Factor:0.9082
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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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