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

Compound InformationSONAR Target prediction
Name:

DIHYDROPTAEROXYLIN

Unique Identifier:SPE00100719
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H16O4
Molecular Weight:244.158 g/mol
X log p:4.714  (online calculus)
Lipinksi Failures0
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:CC1CCc2c(O)c3C(=O)C=C(C)Oc3cc2OC1
Source:mp 84-87; derivative of Ptaeroxylin (00100514)
Reference:Tet Letters 1967: 3459

Found: 455 nonactive | as graph: single | with analogs [1] << Back 441 442 443 444 445 446 447 448 449 450  Next >> [455]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.7309±0.00325269
Normalized OD Score: sc h 0.9262±0.00191239
Z-Score: -2.7326±0.0288286
p-Value: 0.00629462
Z-Factor: 0.14948
Fitness Defect: 5.0681
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2006-04-08 YYYY-MM-DD
Plate CH Control (+):0.0385±0.00181
Plate DMSO Control (-):0.779675±0.01399
Plate Z-Factor:0.9352
png
ps
pdf

DBLink | Rows returned: 1
612556

internal high similarity DBLink | Rows returned: 0

active | Cluster 4376 | Additional Members: 4 | Rows returned: 2
SPE00200447 0.542372881355932
SPE00100513 0.419354838709677

Service provided by the Mike Tyers Laboratory