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Compound InformationSONAR Target prediction
Name:

2-ISOPROPYL-3-METHOXYCINNAMIC ACID

Unique Identifier:SPE00100756
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13H16O3
Molecular Weight:204.137 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1cccc(C=CC(O)=O)c1C(C)C
Class:aromatic
Source:semisynthetic derivative

Found: 91 nonactive as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [91]
Species: 4932
Condition: RAD23
Replicates: 2
Raw OD Value: r im 0.7000±0.00742462
Normalized OD Score: sc h 0.9847±0.0103678
Z-Score: -0.7977±0.552103
p-Value: 0.45928
Z-Factor: -6.08925
Fitness Defect: 0.7781
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.10 Celcius
Date:2008-02-15 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00028
Plate DMSO Control (-):0.687075±0.01876
Plate Z-Factor:0.9095
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16009 | Additional Members: 2 | Rows returned: 1
SPE00210568 0.48

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