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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 31 32 33 34 35 36 37 38 39 40  Next >> [111]
Species: 4932
Condition: SPE00201697
Replicates: 2
Raw OD Value: r im 0.5000±0.0456791
Normalized OD Score: sc h 0.8612±0.00604517
Z-Score: -6.4362±1.75589
p-Value: 0.000000102579
Z-Factor: 0.155672
Fitness Defect: 16.0926
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-12-15 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00183
Plate DMSO Control (-):0.60445±0.02002
Plate Z-Factor:0.9028
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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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