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Compound InformationSONAR Target prediction
Name:

LAMOTRIGINE

Unique Identifier:SPE01505610
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9Cl2H7N5
Molecular Weight:249.035 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Nc1nnc(c(N)n1)c1cccc(Cl)c1Cl
Source:synthetic; BW-430C
Therapeutics:anticonvulsant

Found: 104 nonactive as graph: single | with analogs [1] << Back 101 102 103 104
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5425±0.00339411
Normalized OD Score: sc h 1.0170±0.0124013
Z-Score: 0.4674±0.347229
p-Value: 0.650142
Z-Factor: -4.87911
Fitness Defect: 0.4306
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00021
Plate DMSO Control (-):0.5157±0.02128
Plate Z-Factor:0.8318
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 2363 | Additional Members: 2 | Rows returned: 0
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