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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 2 3 4 5 6 7 8 9 10  Next >> [81]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7253±0.00374767
Normalized OD Score: sc h 0.9871±0.0064458
Z-Score: -0.6909±0.357772
p-Value: 0.503316
Z-Factor: -9.91224
Fitness Defect: 0.6865
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00110
Plate DMSO Control (-):0.7124250000000001±0.01605
Plate Z-Factor:0.9098
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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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