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Compound InformationSONAR Target prediction
Name:

MEBHYDROLIN NAPHTHALENESULFONATE

Unique Identifier:SPE01501116
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C29H28N2O6S2
Molecular Weight:536.452 g/mol
X log p:19.753  (online calculus)
Lipinksi Failures1
TPSA6.48
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:2
Canonical Smiles:CN1CCc2n(Cc3ccccc3)c3ccccc3c2C1.OS(=O)(=O)c1cccc2c1cccc2S(O)(=O)=O
Therapeutics:H1 antihistamine

Found: 111 active | as graph: single | with analogs [1] << Back 61 62 63 64 65 66 67 68 69 70  Next >> [111]
Species: 4932
Condition: SPE01500255
Replicates: 2
Raw OD Value: r im 0.5262±0.0202233
Normalized OD Score: sc h 0.8769±0.0106228
Z-Score: -5.3428±0.178467
p-Value: 0.000000113755
Z-Factor: -0.258607
Fitness Defect: 15.9892
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2006-12-22 YYYY-MM-DD
Plate CH Control (+):0.039474999999999996±0.00202
Plate DMSO Control (-):0.6219250000000001±0.03031
Plate Z-Factor:0.8217
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DBLink | Rows returned: 2
22529
5702169

internal high similarity DBLink | Rows returned: 0

active | Cluster 4370 | Additional Members: 3 | Rows returned: 0
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