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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 11 12 13 14 15 16 17 18 19 20  Next >> [76]
Species: 4932
Condition: pdr_yCG196
Replicates: 2
Raw OD Value: r im 0.0930±0.00282843
Normalized OD Score: sc h 0.1179±0.000735293
Z-Score: -29.5033±0.199322
p-Value: 0
Z-Factor: 0.947704
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:22|A6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09125±0.00662
Plate DMSO Control (-):0.9452499999999999±0.01386
Plate Z-Factor:0.9272
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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

nonactive | Cluster 4981 | Additional Members: 6 | Rows returned: 4
LOPAC 00793 0
Prest1130 0
LAT003F08 0
LAT003A02 0

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