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Compound InformationSONAR Target prediction
Name:

Butylparaben

Unique Identifier:Prest1201
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11H14O3
Molecular Weight:180.116 g/mol
X log p:8.369  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:CCCCOC(=O)c1ccc(O)cc1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 11984.0000±0
Normalized OD Score: sc h 0.9359±0
Z-Score: -1.7840±0
p-Value: 0.0744172
Z-Factor: -3.97415
Fitness Defect: 2.5981
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:12|B5
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):22056±7270.79638
Plate DMSO Control (-):12341.5±7132.64330
Plate Z-Factor:-6.0351
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DBLink | Rows returned: 4
7184 butyl 4-hydroxybenzoate
37453 sodium 4-butoxycarbonylphenolate
81009 3-methylbutyl 4-hydroxybenzoate
3015995 potassium 4-butoxycarbonylphenolate

internal high similarity DBLink | Rows returned: 0

active | Cluster 13501 | Additional Members: 6 | Rows returned: 1
SPE01500767 0

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