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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 31 32 33 34 35 36 37 38 39 40  Next >> [91]
Species: 4932
Condition: HSP104
Replicates: 2
Raw OD Value: r im 0.6902±0.00721249
Normalized OD Score: sc h 0.9716±0.00540204
Z-Score: -1.6378±0.347892
p-Value: 0.111785
Z-Factor: -3.2221
Fitness Defect: 2.1912
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2008-04-11 YYYY-MM-DD
Plate CH Control (+):0.040999999999999995±0.00062
Plate DMSO Control (-):0.6958±0.02257
Plate Z-Factor:0.8720
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

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

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