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Compound InformationSONAR Target prediction
Name:

CANTHARIDIN

Unique Identifier:SPE01500814
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
Source:active principle of cantharides and other insects
Reference:J Am Chem Soc 63: 3167 (1941)
Therapeutics:irritant

Found: 42 nonactive | as graph: single | with analogs [1] << Back 41 42
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.6628±0.00445477
Normalized OD Score: sc h 0.9704±0.00181092
Z-Score: -0.9932±0.0118886
p-Value: 0.320624
Z-Factor: -2.18546
Fitness Defect: 1.1375
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00119
Plate DMSO Control (-):0.6433249999999999±0.02483
Plate Z-Factor:0.8555
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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
SPE01504153 1.0000

active | Cluster 4981 | Additional Members: 6 | Rows returned: 1
LOPAC 00793 0

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