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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 41 42 43 44 45 46 47 48 49 50  Next >> [104]
Species: 4932
Condition: SRS2
Replicates: 2
Raw OD Value: r im 0.7385±0.0013435
Normalized OD Score: sc h 1.0117±0.00411181
Z-Score: 0.5648±0.214735
p-Value: 0.576648
Z-Factor: -6.06556
Fitness Defect: 0.5505
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.30 Celcius
Date:2008-01-22 YYYY-MM-DD
Plate CH Control (+):0.04295±0.01991
Plate DMSO Control (-):0.6923±0.01839
Plate Z-Factor:0.9024
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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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