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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 11 12 13 14 15 16 17 18 19 20  Next >> [276]
Species: 4932
Condition: SPE00305025
Replicates: 2
Raw OD Value: r im 0.0556±0
Normalized OD Score: sc h 0.1779±0
Z-Score: -17.8867±0
p-Value: 0
Z-Factor: 0.877763
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|G8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04±0.00200
Plate DMSO Control (-):0.31255±0.01038
Plate Z-Factor:0.8624
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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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