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Compound InformationSONAR Target prediction
Name:

ISOBERGAPTENE

Unique Identifier:SPE00300032
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:COc1cc2occc2c2OC(=O)C=Cc12
Class:coumarin
Source:Heracleum and other Umbelliferaceae; mp 223-224 C
Reference:Ber 70: 1253 (1937)

Found: 15 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: ARF1
Replicates: 2
Raw OD Value: r im 0.5853±0.00572756
Normalized OD Score: sc h 0.8871±0.00304219
Z-Score: -5.4677±0.129375
p-Value: 0.0000000515784
Z-Factor: -0.0910908
Fitness Defect: 16.7802
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2007-10-02 YYYY-MM-DD
Plate CH Control (+):0.04115±0.00171
Plate DMSO Control (-):0.663775±0.02324
Plate Z-Factor:0.8766
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DBLink | Rows returned: 3
2355
68082
162699

internal high similarity DBLink | Rows returned: 1
SPE00300546 1.0000

active | Cluster 15649 | Additional Members: 2 | Rows returned: 1
SPE00300013 0.538461538461538

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