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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 561 562 563 564 565 566 567 568 569 570  Next >> [616]
Species: 4932
Condition: PFK2
Replicates: 2
Raw OD Value: r im 0.5067±0.0267286
Normalized OD Score: sc h 0.9969±0.013297
Z-Score: -0.0990±0.41773
p-Value: 0.768806
Z-Factor: -36.3036
Fitness Defect: 0.2629
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2008-05-10 YYYY-MM-DD
Plate CH Control (+):0.04095±0.00089
Plate DMSO Control (-):0.5131±0.01903
Plate Z-Factor:0.8769
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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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