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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 141 142 143 144 145 146 147 148 149 150  Next >> [192]
Species: 4896
Condition: MT1181-W303mata
Replicates: 2
Raw OD Value: r im 0.3767±0.0127986
Normalized OD Score: sc h 1.1584±0.0432567
Z-Score: 1.6104±0.426678
p-Value: 0.123263
Z-Factor: -1.46234
Fitness Defect: 2.0934
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2005-12-14 YYYY-MM-DD
Plate CH Control (+):0.356425±0.02626
Plate DMSO Control (-):0.36295±0.02715
Plate Z-Factor:-19.4245
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DBLink | Rows returned: 0

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

active | Cluster 15603 | Additional Members: 14 | Rows returned: 1
LOPAC 00976 0.442622950819672

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