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Compound InformationSONAR Target prediction
Name:

ISOTHIPENDYL HYDROCHLORIDE

Unique Identifier:SPE01504095
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16ClH20N3S
Molecular Weight:301.71 g/mol
X log p:15.259  (online calculus)
Lipinksi Failures1
TPSA44.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:Cl.CC(CN1c2ccccc2Sc2cccnc12)N(C)C
Therapeutics:H1 antihistamine

Found: 101 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: ARX1
Replicates: 2
Raw OD Value: r im 0.6561±0.00905097
Normalized OD Score: sc h 0.9788±0.0169345
Z-Score: -1.0123±0.746455
p-Value: 0.375788
Z-Factor: -13.5273
Fitness Defect: 0.9787
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-10-11 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00090
Plate DMSO Control (-):0.660325±0.14891
Plate Z-Factor:0.1998
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DBLink | Rows returned: 2
3781
14668

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7451 | Additional Members: 8 | Rows returned: 6
SPE01500512 0.314814814814815
Prest195 0.266666666666667
SPE01500293 0.266666666666667
SPE01500510 0
Prest1176 0
LOPAC 00147 0

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