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Compound InformationSONAR Target prediction
Name:

MUNDULONE ACETATE

Unique Identifier:SPE01700330
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C28H28O7
Molecular Weight:448.295 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1c2C=CC(C)(C)Oc2ccc1C1=COc2cc3OC(C)(C)C(Cc3cc2C1=O)OC(C)=O
Class:isoflavone
Source:derivative

Found: 104 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: ARD1
Replicates: 2
Raw OD Value: r im 0.4205±0.000989949
Normalized OD Score: sc h 1.0340±0.00247798
Z-Score: 0.9014±0.091036
p-Value: 0.36838
Z-Factor: -3.69742
Fitness Defect: 0.9986
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-07-10 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00070
Plate DMSO Control (-):0.370525±0.01516
Plate Z-Factor:0.8340
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 2161 | Additional Members: 6 | Rows returned: 3
SPE00200011 0.477272727272727
SPE00210203 0
LAT001H03 0

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