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Compound InformationSONAR Target prediction
Name:

Cantharidin

Unique Identifier:Prest1130
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H12O4
Molecular Weight:184.105 g/mol
X log p:-1.539  (online calculus)
Lipinksi Failures0
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:CC12C3CCC(O3)C1(C)C(=O)OC2=O

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1025.0000±0
Normalized OD Score: sc h 1.0211±0
Z-Score: 0.4762±0
p-Value: 0.63391
Z-Factor: -88.125
Fitness Defect: 0.4558
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:12|A6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):758.5±653.58671
Plate DMSO Control (-):822.5±277.54018
Plate Z-Factor:-66.6597
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DBLink | Rows returned: 23<< Back 1 2 3 4 Next >> 
305445 n/a
3032278 n/a
3038026 n/a
3503030 3-(oxolan-2-yl)oxolane-2,5-dione
3565036 n/a
4231679 n/a

internal high similarity DBLink | Rows returned: 0

active | Cluster 4981 | Additional Members: 6 | Rows returned: 2
LOPAC 00793 0
SPE01500814 0

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