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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT012E07
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21ClH18N3O3
Molecular Weight:377.696 g/mol
X log p:27.637  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:8
Canonical Smiles:OC(C(=O)NNC(=O)Nc1cccc(Cl)c1)(c1ccccc1)c1ccccc1

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr24h
Replicates: 2
Raw OD Value: r im 0.7104±0.00905097
Normalized OD Score: sc h 1.0286±0.00942708
Z-Score: 1.3229±0.3935
p-Value: 0.202764
Z-Factor: -3.13195
Fitness Defect: 1.5957
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:12|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.042525±0.00286
Plate DMSO Control (-):0.6714±0.01977
Plate Z-Factor:0.8946
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DBLink | Rows returned: 1
1358752 3-(3-chlorophenyl)-1-[(2-hydroxy-2,2-diphenyl-acetyl)amino]urea

internal high similarity DBLink | Rows returned: 1
CB 5698026 1.0000

nonactive | Cluster 13997 | Additional Members: 51 | Rows returned: 3
BTB 06196 0.510638297872341
JP 00319 0.5
SPE00330051 0.365853658536585

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