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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: BEM2
Replicates: 2
Raw OD Value: r im 0.4018±0.00890955
Normalized OD Score: sc h 0.8179±0.00839742
Z-Score: -5.3551±0.161792
p-Value: 0.000000102562
Z-Factor: 0.176917
Fitness Defect: 16.0928
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2008-02-05 YYYY-MM-DD
Plate CH Control (+):0.041075±0.00044
Plate DMSO Control (-):0.4726±0.02017
Plate Z-Factor:0.8586
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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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