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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: SUR2
Replicates: 2
Raw OD Value: r im 0.6245±0.010253
Normalized OD Score: sc h 0.8693±0.0066117
Z-Score: -6.6081±0.204464
p-Value: 0.0000000000584042
Z-Factor: 0.417901
Fitness Defect: 23.5636
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-05-06 YYYY-MM-DD
Plate CH Control (+):0.040499999999999994±0.00047
Plate DMSO Control (-):0.70975±0.01301
Plate Z-Factor:0.9402
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DBLink | Rows returned: 4
3083689
5136005
6548070
6708509

internal high similarity DBLink | Rows returned: 1
SPE00100005 0.9595

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

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