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

Compound InformationSONAR Target prediction
Name:

ROBUSTIC ACID METHYL ETHER

Unique Identifier:SPE00240660
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H22O6
Molecular Weight:372.242 g/mol
X log p:15.454  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(cc1)C1C(=O)Oc2cc3OC(C)(C)C=Cc3c(OC)c2C=1OC
Source:ex Derris spp; mp 194--196 C

Found: 503 nonactive | as graph: single | with analogs [1] << Back 401 402 403 404 405 406 407 408 409 410  Next >> [503]
Species: 4932
Condition: ARX1
Replicates: 2
Raw OD Value: r im 0.7208±0.00275772
Normalized OD Score: sc h 1.0736±0.0399798
Z-Score: 3.5449±1.6645
p-Value: 0.00894454
Z-Factor: -3.91289
Fitness Defect: 4.7167
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2007-10-11 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00056
Plate DMSO Control (-):0.6714249999999999±0.10172
Plate Z-Factor:0.4666
png
ps
pdf

DBLink | Rows returned: 1
4262362

internal high similarity DBLink | Rows returned: 1
SPE00240673 0.9040

active | Cluster 12397 | Additional Members: 2 | Rows returned: 1
SPE00240673 0.272727272727273

Service provided by the Mike Tyers Laboratory