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Compound InformationSONAR Target prediction
Name:

ROBUSTIC ACID

Unique Identifier:SPE00240673
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:360.232 g/mol
X log p:15.101  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(cc1)C1C(=O)Oc2cc3OC(C)(C)C=Cc3c(OC)c2C=1O
Class:coumarin
Source:Derris robusta
Reference:J Chem Soc 1969:365

Found: 193 nonactive | as graph: single | with analogs [1] << Back 111 112 113 114 115 116 117 118 119 120  Next >> [193]
Species: 4932
Condition: BY4741-2nd
Replicates: 2
Raw OD Value: r im 0.6689±0.0271529
Normalized OD Score: sc h 0.9516±0.0108867
Z-Score: -0.8579±0.461271
p-Value: 0.415672
Z-Factor: -2.44628
Fitness Defect: 0.8779
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:25|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2008-02-08 YYYY-MM-DD
Plate CH Control (+):0.040875±0.00067
Plate DMSO Control (-):0.6773500000000001±0.01875
Plate Z-Factor:0.8986
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE00240660 0.9040

active | Cluster 12397 | Additional Members: 2 | Rows returned: 1
SPE00240660 0

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