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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: BEM2
Replicates: 2
Raw OD Value: r im 0.5813±0.0124451
Normalized OD Score: sc h 0.8871±0.00761431
Z-Score: -6.0945±0.159635
p-Value: 0.00000000137431
Z-Factor: 0.358071
Fitness Defect: 20.4053
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.043025±0.00241
Plate DMSO Control (-):0.633875±0.01085
Plate Z-Factor:0.9211
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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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