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Compound InformationSONAR Target prediction
Name:

CLEMASTINE

Unique Identifier:SPE01500191
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:429.724 g/mol
X log p:18.96  (online calculus)
Lipinksi Failures1
TPSA12.47
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:6
Canonical Smiles:CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1.OC(=O)C=CC(O)=O
Source:synthetic
Therapeutics:antihistaminic

Found: 276 active | as graph: single | with analogs [1] << Back 241 242 243 244 245 246 247 248 249 250  Next >> [276]
Species: 4932
Condition: SPE01503602
Replicates: 2
Raw OD Value: r im 0.4127±0.0301935
Normalized OD Score: sc h 1.9418±0.0571665
Z-Score: 4.6578±1.42596
p-Value: 0.000131413
Z-Factor: -28.1693
Fitness Defect: 8.9372
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2006-11-15 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00213
Plate DMSO Control (-):0.22215000000000001±0.24126
Plate Z-Factor:-1.1815
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DBLink | Rows returned: 3
26986 but-2-enedioic acid; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine
5281069 but-2-enedioic acid; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine
6426695 (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-2,3,4,5-tetrahydropyrrole;
(E)-4-hydroxy-4-oxo-but-2-enoate

internal high similarity DBLink | Rows returned: 1
LOPAC 00805 1.0000

active | Cluster 7676 | Additional Members: 4 | Rows returned: 2
LAT002E10 0
LOPAC 00805 0

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