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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: 414 nonactive | as graph: single | with analogs [1] << Back 391 392 393 394 395 396 397 398 399 400  Next >> [414]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.2173±0.0197283
Normalized OD Score: sc h 0.5547±0.0392756
Z-Score: -3.8640±0.0991352
p-Value: 0.000115909
Z-Factor: 0.4342
Fitness Defect: 9.0627
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2006-04-25 YYYY-MM-DD
Plate CH Control (+):0.038625±0.00213
Plate DMSO Control (-):0.37634999999999996±0.01757
Plate Z-Factor:0.8440
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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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