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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 291 292 293 294 295 296 297 298 299 300  Next >> [616]
Species: 4932
Condition: SPE01500451
Replicates: 2
Raw OD Value: r im 0.6325±0.031042
Normalized OD Score: sc h 1.0321±0.0471157
Z-Score: 1.2423±1.83481
p-Value: 0.483574
Z-Factor: -15.8786
Fitness Defect: 0.7266
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2007-01-04 YYYY-MM-DD
Plate CH Control (+):0.040124999999999994±0.00258
Plate DMSO Control (-):0.6507000000000001±0.02730
Plate Z-Factor:0.8556
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DBLink | Rows returned: 4
3535625
6451184
6576562
6708606

internal high similarity DBLink | Rows returned: 1
SPE00100318 0.9545

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