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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 401 402 403 404 405 406 407 408 409 410  Next >> [414]
Species: 4932
Condition: CLN2
Replicates: 2
Raw OD Value: r im 0.7755±0.00113137
Normalized OD Score: sc h 1.0401±0.00118331
Z-Score: 1.0202±0.104806
p-Value: 0.308942
Z-Factor: -8.36514
Fitness Defect: 1.1746
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:24|F10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.08475±0.01398
Plate DMSO Control (-):0.8672500000000001±0.04249
Plate Z-Factor:0.7650
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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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