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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 501 502 503 504 505 506 507 508 509 510  Next >> [616]
Species: 4932
Condition: SPE00300563
Replicates: 2
Raw OD Value: r im 0.6986±0.0223446
Normalized OD Score: sc h 1.0143±0.0400455
Z-Score: 0.2782±0.930147
p-Value: 0.526818
Z-Factor: -17.5244
Fitness Defect: 0.6409
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-11-17 YYYY-MM-DD
Plate CH Control (+):0.03895±0.00184
Plate DMSO Control (-):0.7130000000000001±0.02255
Plate Z-Factor:0.9085
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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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