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 71 72 73 74 75 76 77 78 79 80  Next >> [101]
Species: 4932
Condition: RNR3
Replicates: 2
Raw OD Value: r im 0.7428±0.00494975
Normalized OD Score: sc h 1.0106±0.0095287
Z-Score: 0.3297±0.31453
p-Value: 0.747726
Z-Factor: -4.46059
Fitness Defect: 0.2907
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.038375±0.00117
Plate DMSO Control (-):0.725375±0.01614
Plate Z-Factor:0.9138
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