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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: 76 active | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 Next >> [76]
Species: 4932
Condition: UBP8
Replicates: 2
Raw OD Value: r im 0.4828±0.00325269
Normalized OD Score: sc h 0.7998±0.00243909
Z-Score: -8.2510±0.0965061
p-Value: 1.82987e-16
Z-Factor: -13.6847
Fitness Defect: 36.2371
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2007-10-17 YYYY-MM-DD
Plate CH Control (+):0.04035±0.00040
Plate DMSO Control (-):0.6196250000000001±0.20007
Plate Z-Factor:-0.2228
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DBLink | Rows returned: 23<< Back 1 2 3 4 Next >> 
4231680
6603787
6603949
6604882
6708701
6852411

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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