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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 91 92 93 94 95 96 97 98 99 100  Next >> [616]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.3533±0.00671751
Normalized OD Score: sc h 1.1783±0.00987585
Z-Score: 1.5537±0.183043
p-Value: 0.123357
Z-Factor: 0.0369519
Fitness Defect: 2.0927
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2006-04-25 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00133
Plate DMSO Control (-):0.327125±0.01486
Plate Z-Factor:0.8133
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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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