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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 51 52 53 54 55 56 57 58 59 60  Next >> [616]
Species: 4896
Condition: MT1181-W303mata
Replicates: 2
Raw OD Value: r im 0.4350±0.0464569
Normalized OD Score: sc h 0.9737±0.0239001
Z-Score: -0.2670±0.240969
p-Value: 0.792448
Z-Factor: -11.7477
Fitness Defect: 0.2326
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2005-12-14 YYYY-MM-DD
Plate CH Control (+):0.47402500000000003±0.04250
Plate DMSO Control (-):0.470425±0.03222
Plate Z-Factor:-53.5235
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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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