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Compound InformationSONAR Target prediction
Name:

Clofibric acid

Unique Identifier:Prest39
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10ClH11O3
Molecular Weight:203.558 g/mol
X log p:7.862  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:CC(C)(Oc1ccc(Cl)cc1)C(O)=O

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1080.0000±0
Normalized OD Score: sc h 0.8987±0
Z-Score: -2.2825±0
p-Value: 0.0224624
Z-Factor: -7.92223
Fitness Defect: 3.7959
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:10|G4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):870.5±769.75857
Plate DMSO Control (-):982.5±305.13061
Plate Z-Factor:-45.8313
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DBLink | Rows returned: 141 2 3 Next >> 
2797 2-(4-chlorophenoxy)-2-methyl-propanoic acid
18703 2-(4-chlorophenoxy)propanoic acid
65611 2-(4-chlorophenoxy)-2-methyl-propanoate; magnesium(+2) cation
68659 calcium 2-(4-chlorophenoxy)-2-methyl-propanoate
736071 (2R)-2-(4-chlorophenoxy)propanoic acid
736072 (2S)-2-(4-chlorophenoxy)propanoic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 16766 | Additional Members: 15 | Rows returned: 0
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