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Compound InformationSONAR Target prediction
Name:

PTAEROXYLIN

Unique Identifier:SPE00100513
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:244.158 g/mol
X log p:6.787  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:CC1COc2cc3OC(C)=CC(=O)c3c(O)c2CC=1
Class:chromone
Source:Ptaeroxylon obliquum, Cedrelopsis grevei
Reference:J Chem Soc (C) 1966:114; 1967:145; Tet Lett 1967:3459

Found: 577 nonactive | as graph: single | with analogs [1] << Back 121 122 123 124 125 126 127 128 129 130  Next >> [577]
Species: 4932
Condition: SPE00212097
Replicates: 2
Raw OD Value: r im 0.4452±0.00275772
Normalized OD Score: sc h 1.0248±0.019736
Z-Score: 0.3738±0.294631
p-Value: 0.714558
Z-Factor: -27.3621
Fitness Defect: 0.3361
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|A7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.00 Celcius
Date:2006-12-21 YYYY-MM-DD
Plate CH Control (+):0.0392±0.00232
Plate DMSO Control (-):0.49315±0.03921
Plate Z-Factor:0.7465
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DBLink | Rows returned: 1
3646533

internal high similarity DBLink | Rows returned: 0

active | Cluster 4376 | Additional Members: 4 | Rows returned: 2
SPE00200447 0.542372881355932
SPE00100719 0

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