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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 101 102 103 104 105 106 107 108 109 110  Next >> [577]
Species: 4932
Condition: SPE00210203
Replicates: 2
Raw OD Value: r im 0.6217±0.00586899
Normalized OD Score: sc h 1.0144±0.00000683925
Z-Score: 0.4758±0.0377034
p-Value: 0.634322
Z-Factor: -7.02477
Fitness Defect: 0.4552
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:2006-12-19 YYYY-MM-DD
Plate CH Control (+):0.039099999999999996±0.00228
Plate DMSO Control (-):0.634675±0.18135
Plate Z-Factor:-0.0260
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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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