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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 401 402 403 404 405 406 407 408 409 410  Next >> [438]
Species: 4932
Condition: NDI1
Replicates: 2
Raw OD Value: r im 0.6365±0.00247487
Normalized OD Score: sc h 0.8839±0.0044324
Z-Score: -5.3784±0.209507
p-Value: 0.000000100983
Z-Factor: 0.158211
Fitness Defect: 16.1083
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2008-03-13 YYYY-MM-DD
Plate CH Control (+):0.03975±0.00057
Plate DMSO Control (-):0.69785±0.01882
Plate Z-Factor:0.9297
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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

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