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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 371 372 373 374 375 376 377 378 379 380  Next >> [414]
Species: 4932
Condition: PPH21
Replicates: 2
Raw OD Value: r im 0.7977±0.0115966
Normalized OD Score: sc h 0.9873±0.00727565
Z-Score: -0.4538±0.254956
p-Value: 0.655246
Z-Factor: -5.59757
Fitness Defect: 0.4227
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2006-05-16 YYYY-MM-DD
Plate CH Control (+):0.039349999999999996±0.00179
Plate DMSO Control (-):0.7832250000000001±0.01209
Plate Z-Factor:0.9388
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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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