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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 81 82 83 84 85 86 87 88 89 90  Next >> [91]
Species: 4932
Condition: TPK1
Replicates: 2
Raw OD Value: r im 0.6982±0.0122329
Normalized OD Score: sc h 0.9850±0.00523968
Z-Score: -0.7256±0.274465
p-Value: 0.476428
Z-Factor: -6.99956
Fitness Defect: 0.7414
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-04-25 YYYY-MM-DD
Plate CH Control (+):0.040400000000000005±0.00168
Plate DMSO Control (-):0.6956249999999999±0.01811
Plate Z-Factor:0.9384
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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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