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Compound InformationSONAR Target prediction
Name:

SPHONDIN

Unique Identifier:SPE00300005
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:208.126 g/mol
X log p:11.189  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:COc1cc2C=CC(=O)Oc2c2ccoc12
Class:coumarin
Source:Heracleum maximum root; mp 191-192 C
Reference:Ber 74:595 (1941); Monatsh Chem 84:217 (1953)

Found: 52 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [52]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6540±0.000636396
Normalized OD Score: sc h 0.7310±0.00258548
Z-Score: -7.9120±0.0496253
p-Value: 0.00000000000000263352
Z-Factor: 0.493718
Fitness Defect: 33.5705
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.041624999999999995±0.00154
Plate DMSO Control (-):0.620925±0.01362
Plate Z-Factor:0.9283
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DBLink | Rows returned: 1
108104

internal high similarity DBLink | Rows returned: 1
SPE00300013 0.9179

active | Cluster 12807 | Additional Members: 6 | Rows returned: 3
LAT001C03 0.305084745762712
SPE00102076 0.305084745762712
SPE01500400 0

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