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

Compound InformationSONAR Target prediction
Name:

CEDRELONE

Unique Identifier:SPE00100009
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:392.275 g/mol
X log p:9.314  (online calculus)
Lipinksi Failures1
TPSA55.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:CC1(C)C(=O)C=CC2(C)C3CCC4(C)C(CC5OC54C3(C)C(=O)C(O)=C12)c1cocc1
Class:limonoid
Source:Cedrela species
Reference:J Chem Soc 1963: 2506, 2515

Found: 438 active | as graph: single | with analogs [1] << Back 411 412 413 414 415 416 417 418 419 420  Next >> [438]
Species: 4932
Condition: RRP6
Replicates: 2
Raw OD Value: r im 0.5161±0.0432042
Normalized OD Score: sc h 0.8413±0.0194428
Z-Score: -5.8087±0.467957
p-Value: 0.0000000219476
Z-Factor: 0.101679
Fitness Defect: 17.6346
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.0407±0.00087
Plate DMSO Control (-):0.592225±0.01700
Plate Z-Factor:0.9067
png
ps
pdf

DBLink | Rows returned: 4
3083689
5136005
6548070
6708509

internal high similarity DBLink | Rows returned: 1
SPE00100005 0.9595

active | Cluster 9059 | Additional Members: 3 | Rows returned: 2
SPE00100005 0
LAT001A02 0

Service provided by the Mike Tyers Laboratory