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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 101 102 103 104 105 106 107 108 109 110  Next >> [111]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.3764±0.0556493
Normalized OD Score: sc h 0.5767±0.0742396
Z-Score: -8.8597±0.807421
p-Value: 5.72082e-17
Z-Factor: 0.0762197
Fitness Defect: 37.3998
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.03855±0.00145
Plate DMSO Control (-):0.6434±0.03195
Plate Z-Factor:0.8739
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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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