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Compound InformationSONAR Target prediction
Name:

MEXAMINE

Unique Identifier:SPE02300296
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:211.583 g/mol
X log p:8.17  (online calculus)
Lipinksi Failures1
TPSA9.23
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:Cl.COc1ccc2ncc(CCN)c2c1
Source:synthetic
Reference:J Med Chem 30: 1 (1987)
Therapeutics:5HT agonist

Found: 192 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [192]
Species: 4932
Condition: BIM1
Replicates: 2
Raw OD Value: r im 0.6639±0.00240416
Normalized OD Score: sc h 0.9908±0.0000784812
Z-Score: -0.4732±0.0434011
p-Value: 0.636238
Z-Factor: -7.87655
Fitness Defect: 0.4522
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2008-06-24 YYYY-MM-DD
Plate CH Control (+):0.0407±0.00173
Plate DMSO Control (-):0.653225±0.01668
Plate Z-Factor:0.9040
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
AC 11641 0.9167
LOPAC 01058 1.0000

nonactive | Cluster 15603 | Additional Members: 14 | Rows returned: 5
LOPAC 00976 0.442622950819672
LOPAC 01058 0.358490566037736
Prest312 0
SPE01500690 0
LOPAC 00520 0

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