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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 2 3 4 5 6 7 8 9 10  Next >> [42]
Species: 4932
Condition: BY4741
Replicates: 2
Raw OD Value: r im 0.1285±0.0265872
Normalized OD Score: sc h 0.9399±0.0265111
Z-Score: -2.4186±0.925927
p-Value: 0.0399314
Z-Factor: -1.0612
Fitness Defect: 3.2206
Bioactivity Statement: Nonactive
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 (+):0.08499999999999999±0.01187
Plate DMSO Control (-):0.9392499999999999±0.04459
Plate Z-Factor:0.7986
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DBLink | Rows returned: 23<< Back 1 2 3 4
9497644
9497645
9497646
9497647
11944741

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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