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Compound InformationSONAR Target prediction
Name:

Phenolphthalein

Unique Identifier:LAT002F05
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20H14O4
Molecular Weight:304.212 g/mol
X log p:24.435  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:Oc1ccc(cc1)C1(OC(=O)c2ccccc21)c1ccc(O)cc1

Found: 5 nonactive as graph: single | with analogs 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6444±0.0205061
Normalized OD Score: sc h 1.0200±0.0349681
Z-Score: 0.7429±1.03796
p-Value: 0.566284
Z-Factor: -6.98296
Fitness Defect: 0.5687
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:2|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00248
Plate DMSO Control (-):0.647475±0.01609
Plate Z-Factor:0.8987
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DBLink | Rows returned: 4
4764 3,3-bis(4-hydroxyphenyl)isobenzofuran-1-one
68206 disodium 4-[1-(4-oxidophenyl)-3-oxo-isobenzofuran-1-yl]phenolate
228383 3-(4-hydroxyphenyl)-3-phenyl-isobenzofuran-1-one
343716 3-(4-hydroxyphenyl)-3H-isobenzofuran-1-one

internal high similarity DBLink | Rows returned: 1
SPE01500480 1.0000

active | Cluster 5860 | Additional Members: 5 | Rows returned: 1
SPE01500480 0

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