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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 11 12 13 14 15 16 17 18 19 20  Next >> [104]
Species: 4932
Condition: CIN8
Replicates: 2
Raw OD Value: r im 0.6979±0.00183848
Normalized OD Score: sc h 1.0399±0.0022366
Z-Score: 1.8466±0.035367
p-Value: 0.0648916
Z-Factor: -1.68184
Fitness Defect: 2.735
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2008-02-06 YYYY-MM-DD
Plate CH Control (+):0.041475±0.00061
Plate DMSO Control (-):0.6406499999999999±0.02050
Plate Z-Factor:0.8939
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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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