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Compound InformationSONAR Target prediction
Name:

NEORUSCOGENIN

Unique Identifier:SPE01504607
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H40O4
Molecular Weight:388.286 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC1C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)OC21CCC(=C)CO2
Class:sterol
Source:Ruscus spp, Sansevieria trifasciata
Reference:Fitoterapia 42:127 (1971); Tetrahedron 28:1289 (1972)
Therapeutics:antiinflammatory

Found: 81 nonactive | as graph: single | with analogs [1] << Back 81
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.7074±0.0231931
Normalized OD Score: sc h 0.9790±0.0219797
Z-Score: -0.6228±0.75118
p-Value: 0.587776
Z-Factor: -5.33998
Fitness Defect: 0.5314
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.042249999999999996±0.01254
Plate DMSO Control (-):0.705625±0.01408
Plate Z-Factor:0.8176
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 10789 | Additional Members: 6 | Rows returned: 2
Prest1042 0
SPE00100537 0

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