Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 61 62 63 64 65 66 67 68 69 70  Next >> [91]
Species: 4932
Condition: RPN1
Replicates: 2
Raw OD Value: r im 0.6649±0.0101823
Normalized OD Score: sc h 0.9945±0.00351338
Z-Score: -0.2862±0.180861
p-Value: 0.776494
Z-Factor: -27.0898
Fitness Defect: 0.253
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2008-05-28 YYYY-MM-DD
Plate CH Control (+):0.040075±0.00060
Plate DMSO Control (-):0.6555±0.01555
Plate Z-Factor:0.9245
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

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

Service provided by the Mike Tyers Laboratory