Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 51 52 53 54 55 56 57 58 59 60  Next >> [101]
Species: 4896
Condition: MT1181-W303mata
Replicates: 2
Raw OD Value: r im 0.4390±0.0160513
Normalized OD Score: sc h 1.0141±0.000955513
Z-Score: 0.1436±0.00851908
p-Value: 0.885802
Z-Factor: -29.7405
Fitness Defect: 0.1213
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2005-12-14 YYYY-MM-DD
Plate CH Control (+):0.403625±0.02327
Plate DMSO Control (-):0.451075±0.04257
Plate Z-Factor:-1.9949
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory