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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 1 2 3 4 5 6 7 8 9 10  Next >> [91]
Species: 4932
Condition: BIM1
Replicates: 2
Raw OD Value: r im 0.6638±0.00183848
Normalized OD Score: sc h 0.9813±0.00147923
Z-Score: -0.9591±0.00334718
p-Value: 0.337502
Z-Factor: -5.25713
Fitness Defect: 1.0862
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2008-06-24 YYYY-MM-DD
Plate CH Control (+):0.0399±0.00028
Plate DMSO Control (-):0.664325±0.01805
Plate Z-Factor:0.8900
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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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