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Compound InformationSONAR Target prediction
Name:

3beta-HYDROXYISOALLOSPIROST-9(11)-ENE

Unique Identifier:SPE00100305
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:372.287 g/mol
X log p:1.805  (online calculus)
Lipinksi Failures0
TPSA18.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4=CCC3(C)C1C2C
Class:sterol
Source:semisynthetic

Found: 616 nonactive as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [616]
Species: 4932
Condition: IDH2
Replicates: 2
Raw OD Value: r im 0.5792±0.0113844
Normalized OD Score: sc h 0.9832±0.0140413
Z-Score: -0.8486±0.724159
p-Value: 0.45505
Z-Factor: -238.761
Fitness Defect: 0.7873
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2007-10-19 YYYY-MM-DD
Plate CH Control (+):0.040875±0.00327
Plate DMSO Control (-):0.58155±0.04878
Plate Z-Factor:0.7281
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DBLink | Rows returned: 4
3535625
6451184
6576562
6708606

internal high similarity DBLink | Rows returned: 1
SPE00100318 0.9545

nonactive | Cluster 6147 | Additional Members: 3 | Rows returned: 0
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