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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] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [52]
Species: 4932
Condition: GCN5
Replicates: 2
Raw OD Value: r im 0.1860±0.0238295
Normalized OD Score: sc h 0.7599±0.00941837
Z-Score: -4.1154±0.133263
p-Value: 0.0000417484
Z-Factor: -3.56385
Fitness Defect: 10.0838
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-10-30 YYYY-MM-DD
Plate CH Control (+):0.041425000000000003±0.00082
Plate DMSO Control (-):0.2666±0.05913
Plate Z-Factor:0.1011
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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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