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Compound InformationSONAR Target prediction
Name:

Indole-3-Butyric Acid

Unique Identifier:LAT006H07
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12H13NO2
Molecular Weight:190.134 g/mol
X log p:9.573  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:OC(=O)CCCc1cnc2ccccc12

Found: 5 nonactive as graph: single | with analogs 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.5808±0.00268701
Normalized OD Score: sc h 0.9537±0.0141769
Z-Score: -1.1843±0.493168
p-Value: 0.26435
Z-Factor: -2.43967
Fitness Defect: 1.3305
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:6|H7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.04025±0.00231
Plate DMSO Control (-):0.6212±0.01753
Plate Z-Factor:0.9250
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SB 02058 1.0000

active | Cluster 17959 | Additional Members: 13 | Rows returned: 1
SPE01505331 0.405405405405405

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