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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 81 82 83 84 85 86 87 88 89 90  Next >> [101]
Species: 4932
Condition: SEC22
Replicates: 2
Raw OD Value: r im 0.6114±0.00735391
Normalized OD Score: sc h 0.9982±0.001134
Z-Score: -0.0624±0.0364085
p-Value: 0.95026
Z-Factor: -7.52051
Fitness Defect: 0.051
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2007-10-16 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00114
Plate DMSO Control (-):0.60475±0.13972
Plate Z-Factor:0.1618
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DBLink | Rows returned: 2
3781
14668

internal high similarity DBLink | Rows returned: 0

active | Cluster 7451 | Additional Members: 8 | Rows returned: 2
SPE01500293 0.266666666666667
SPE01500510 0

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