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Compound InformationSONAR Target prediction
Name:

3-ethylenedioxy-17-beta-hydroxyandrostane

Unique Identifier:NRB 03720
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H34O3
Molecular Weight:301.231 g/mol
X log p:0.253  (online calculus)
Lipinksi Failures0
TPSA18.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CCC4CC5(CCC43C)OCCO5)C1CCC2O

Found: 8 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 Next >> 
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.5995±0.00685894
Normalized OD Score: sc h 0.8697±0.000897652
Z-Score: -5.8668±0.217275
p-Value: 0.00000000641512
Z-Factor: 0.363585
Fitness Defect: 18.8646
Bioactivity Statement: Active
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:8|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.60 Celcius
Date:2007-07-26 YYYY-MM-DD
Plate CH Control (+):0.039150000000000004±0.00166
Plate DMSO Control (-):0.6826±0.01757
Plate Z-Factor:0.8950
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DBLink | Rows returned: 130[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [22]
283657 n/a
287425 1,4-dioxaspiro[4.7]dodecane
287614 n/a
291808 6-methyl-1,4-dioxaspiro[4.5]decane
292653 2-cyclohexyl-1,3-dioxolane
300323 n/a

internal high similarity DBLink | Rows returned: 3
RH 01539 0.9167
BTB 12422 0.9444
NRB 03695 1.0000

active | Cluster 12674 | Additional Members: 6 | Rows returned: 4
Prest1215 0.413793103448276
SPE00107093 0
LOPAC 00683 0
SPE00107100 0

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