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Compound InformationSONAR Target prediction
Name:

NORCANTHARIDIN

Unique Identifier:SPE01504153
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:160.083 g/mol
X log p:-0.299  (online calculus)
Lipinksi Failures0
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:O=C1OC(=O)C2C3CCC(O3)C21
Source:synthetic
Reference:Biochem Biophys Res Comm 276: 278 (2000)
Therapeutics:antineoplastic, protein phosphatase inhibitor

Found: 203 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [203]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7210±0.00615183
Normalized OD Score: sc h 0.9938±0.00450736
Z-Score: -0.3320±0.246936
p-Value: 0.743694
Z-Factor: -21.8213
Fitness Defect: 0.2961
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00082
Plate DMSO Control (-):0.7129749999999999±0.01080
Plate Z-Factor:0.9359
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DBLink | Rows returned: 231 2 3 4 Next >> 
2545
5944
93004
198705
198727
238942

internal high similarity DBLink | Rows returned: 3
LOPAC 00793 1.0000
LOPAC 01099 1.0000
SPE01500814 1.0000

active | Cluster 564 | Additional Members: 4 | Rows returned: 0
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