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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: VPS5
Replicates: 2
Raw OD Value: r im 0.7726±0.00523259
Normalized OD Score: sc h 0.9172±0.00112336
Z-Score: -4.5023±0.0913111
p-Value: 0.0000070226
Z-Factor: 0.495611
Fitness Defect: 11.8664
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2006-03-30 YYYY-MM-DD
Plate CH Control (+):0.039224999999999996±0.00192
Plate DMSO Control (-):0.823975±0.01079
Plate Z-Factor:0.9630
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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: 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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