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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 91 92 93 94 95 96 97 98 99 100  Next >> [111]
Species: 4932
Condition: CDC73
Replicates: 2
Raw OD Value: r im 0.2991±0.0385373
Normalized OD Score: sc h 0.7141±0.0217439
Z-Score: -7.1972±0.169975
p-Value: 0.000000000000862902
Z-Factor: -2.24516
Fitness Defect: 27.7785
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2007-09-19 YYYY-MM-DD
Plate CH Control (+):0.039975±0.00031
Plate DMSO Control (-):0.39942500000000003±0.08627
Plate Z-Factor:0.2020
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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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