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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT017F05
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16Cl2H12O2
Molecular Weight:295.075 g/mol
X log p:13.907  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:Oc1ccc2C(CCC(=O)c2c1)c1ccc(Cl)c(Cl)c1

Found: 5 active as graph: single | with analogs << Back 1 2 3 4 5
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.1496±0.0316077
Normalized OD Score: sc h 0.1924±0.0406529
Z-Score: -36.0778±5.82684
p-Value: 0
Z-Factor: 0.774997
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:17|F5
Drug Concentration:50.00 nM
OD Absorbance:1 nm
Robot Temperature:25.10 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00245
Plate DMSO Control (-):0.7619499999999999±0.01479
Plate Z-Factor:0.9506
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DBLink | Rows returned: 3
1121949 (4S)-4-(3,4-dichlorophenyl)-7-hydroxy-tetralin-1-one
1121951 (4R)-4-(3,4-dichlorophenyl)-7-hydroxy-tetralin-1-one
2913934 4-(3,4-dichlorophenyl)-7-hydroxy-tetralin-1-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 1690 | Additional Members: 4 | Rows returned: 3
LOPAC 00315 0.37037037037037
SPE01505262 0
Prest1219 0

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